C 19 SEP 05 - MK  - INCLUDE MODEL CORE POTENTIAL LIBRARY
C
C*MODULE MCPLIB  *DECK MG3754
      SUBROUTINE MG3754(MMPMOD,NUCZ,MMPTYP,SHINFO,CDFCTR,NOSH,KTYP,KNG,
     2                  EX,C,ZCORE,NOAN0,NOAN1,AN0,ALPN0,AN1,
     3                  ALPN1,BPAR,ITYP,IERR)
C
C     --- MMPMOD: 0  READ VALENCE BASIS-SET
C     ---         1  READ MODEL-POTENTIAL-PARAMETERS
C     ---            AND CORE-SHELL BASIS-SET
C
C     --- NUCZ:    NUCLEAR CHARGE
C     --- MMPTYP:  1  NON-RELATIVISTIC   MOD.POT.
C     ---          2  QUASI-RELATIVISTIC MOD.POT.
C     ---          3  READ IN MOD.POT.FROM $MMP GROUP
C     ---          4  TYPE NOT SPECIFIED
C     ---    W*10**I  FOR I-TH SHELL (I>=1)
C     ---    W: 1,2,3,4,6  S,P,D,F,L - SHELL
C     --- CDFCTR(I) CODED DEFAULT CONTRACTION OF VALENCE-SHELL I
C     --- NOSH     NO.OF (VALENCE OR CORE) SHELLS
C     --- KTYP(I)  TYPE OF SHELL I
C     --- KNG(I)   NO.OF GTFS IN SHELL I
C     --- EX(J)    EXPONENT OF J-TH GTF
C     --- C(J)     CONTRACTION COEFF.OF J-TH GTF
C     --- ZCORE    CORE-CHARGE
C     --- NOAN0    NO.OF A-TERMS FOR N=0
C     --- NOAN1    NO.OF A-TERMS FOR N=1
C     --- AN0(I)   A-PARAMETERS FOR N=0
C     --- ALPN0(I) ALPHA-EXPONENTS FOR N=0
C     --- AN1(I)   A-PARAMETERS FOR N=1
C     --- ALPN1(I) ALPHA-EXPONENTS FOR N=1
C     --- BPAR(I)  B-PARAMETERS
C     --- IERR(I)  ERROR-STATUS   FOR MMPMOD=0:
C     ---          0  OK; 1  NOT MMP-ATOM; 2 MMPTYP WRONG
C
C
      IMPLICIT DOUBLE PRECISION (A-H,O-Z)
      DIMENSION AN0(*),ALPN0(*),AN1(*),ALPN1(*)
      DIMENSION BPAR(*),KNG(*),KTYP(*)
      DIMENSION C(*),EX(*)
      CHARACTER*20 CDFCTR(*),SHINFO
C
      DIMENSION ITYP(10)
      COMMON /IOFILE/ IR,IW,IP,IJK,IPK,IDAF,NAV,IODA(950)
C
      IZSAVE=NUCZ
      IERR=0
C
      IZSAVE=NUCZ
      IERR=0
C
C     --- ITYP(I) IS THE TYPE (MMPTYP) OF THE I-TH BUILT-IN
C     --- MODEL-POTENTIAL FOR A GIVEN ATOM (IZSAVE)
C
      DO 40 I=1,10
         ITYP(I)=0
  40  CONTINUE
C ... ../TOOLS_MCP/MG3754:RB-XE.MPPAR
C
C     --- 
C
      IF(IZSAVE.EQ.37) THEN
        ITYP(1)=122
        IF (MMPTYP.EQ.122) THEN
          IF (MMPMOD.EQ.0) THEN
C
C*************************************************************
C     TITLE : RB/QR             CONFIGURATION : P06S01       *
C   VALENCE : (5S/4P)           BASIS SET     : ( 7/ 5)      *
C          EFFECTIVE CORE CHARGE :  7.000000                 *
C*************************************************************
C
C  ***     TOTAL ENERGY         =  -14.132588 A.U.
C
C  ***     ORBITAL ENERGY( 5S ) =    -.1399   A.U.
C  ***     ORBITAL ENERGY( 4P ) =    -.8083   A.U.
C
C         --- VALENCE-SHELL BASIS-SET
C
          ZCORE = IZSAVE -  7.0D+00
          SHINFO='5S/4P'
          NOSH= 2
          CDFCTR(1)='61'
          CDFCTR(2)='5'
             KNG(1)= 7
            KTYP(1)= 1
             KNG(2)= 5
            KTYP(2)= 2
          EX( 1)= 0.57858803D+03
           C( 1)=-0.17203906D-01
          EX( 2)= 0.23953112D+02
           C( 2)= 0.69491550D-01
          EX( 3)= 0.34165499D+01
           C( 3)=-0.18580529D+00
          EX( 4)= 0.47029398D+00
           C( 4)= 0.32081421D+00
          EX( 5)= 0.18861826D+00
           C( 5)= 0.19222890D+00
          EX( 6)= 0.34962500D-01
           C( 6)=-0.68472471D+00
          EX( 7)= 0.15191800D-01
           C( 7)=-0.45480829D+00
          EX( 8)= 0.29061513D+03
           C( 8)= 0.37022810D-01
          EX( 9)= 0.60475872D+02
           C( 9)= 0.12353848D+00
          EX(10)= 0.51714582D+01
           C(10)=-0.35982072D+00
          EX(11)= 0.56108844D+00
           C(11)= 0.75878245D+00
          EX(12)= 0.18812800D+00
           C(12)= 0.32910736D+00
          RETURN
        ELSE
C
C         --- CORE-SHELLS AND MODEL-POTENTIAL
C
          ZCORE = IZSAVE -  7.0D+00
          NOAN0=  3
          NOAN1=  3
C         --- A-PARAMETERS FOR N=0
            AN0( 1)= 0.22673173D+01
          ALPN0( 1)= 0.17172374D+03
            AN0( 2)= 0.12001536D+01
          ALPN0( 2)= 0.87958729D+01
            AN0( 3)= 0.35259565D+00
          ALPN0( 3)= 0.16788891D+01
C         --- A-PARAMETERS FOR N=1
            AN1( 1)= 0.22272870D+03
          ALPN1( 1)= 0.32855509D+04
            AN1( 2)= 0.15080086D+02
          ALPN1( 2)= 0.43341257D+02
            AN1( 3)= 0.47537534D+00
          ALPN1( 3)= 0.13705951D+01
C         --- CORE-SHELL INFORMATION 
          NOSH     =  7
          KTYP( 1) =  1
           KNG( 1) = 13
          BPAR( 1) = 0.11248126D+04
          KTYP( 2) =  1
           KNG( 2) = 13
          BPAR( 2) = 0.15509320D+03
          KTYP( 3) =  1
           KNG( 3) = 13
          BPAR( 3) = 0.25125400D+02
          KTYP( 4) =  1
           KNG( 4) = 13
          BPAR( 4) = 0.31324000D+01
          KTYP( 5) =  2
           KNG( 5) = 10
          BPAR( 5) = 0.13715820D+03
          KTYP( 6) =  2
           KNG( 6) = 10
          BPAR( 6) = 0.19174000D+02
          KTYP( 7) =  3
           KNG( 7) =  4
          BPAR( 7) = 0.92910000D+01
C         --- EXPONENTS AND COEFFICIENTS 
          EX(  1) = 0.28328693D+05
           C(  1) = 0.18613237D-01
          EX(  2) = 0.32933084D+04
           C(  2) = 0.13051823D+00
          EX(  3) = 0.68749746D+03
           C(  3) = 0.45129246D+00
          EX(  4) = 0.18527920D+03
           C(  4) = 0.52559602D+00
          EX(  5) = 0.30329819D+03
           C(  5) =-0.41858680D-02
          EX(  6) = 0.33317883D+02
           C(  6) = 0.26815458D-01
          EX(  7) = 0.13888572D+02
           C(  7) = 0.18101747D-01
          EX(  8) = 0.25942651D+02
           C(  8) = 0.55653863D-02
          EX(  9) = 0.42237516D+01
           C(  9) =-0.18043595D-01
          EX( 10) = 0.18237775D+01
           C( 10) =-0.78964488D-02
          EX( 11) = 0.29758746D+01
           C( 11) = 0.00000000D+00
          EX( 12) = 0.53215608D+00
           C( 12) = 0.00000000D+00
          EX( 13) = 0.21334964D+00
           C( 13) = 0.00000000D+00
          EX( 14) = 0.28328693D+05
           C( 14) = 0.66182789D-02
          EX( 15) = 0.32933084D+04
           C( 15) = 0.46408158D-01
          EX( 16) = 0.68749746D+03
           C( 16) = 0.16046534D+00
          EX( 17) = 0.18527920D+03
           C( 17) = 0.18688534D+00
          EX( 18) = 0.30329819D+03
           C( 18) = 0.10416833D+00
          EX( 19) = 0.33317883D+02
           C( 19) =-0.66732195D+00
          EX( 20) = 0.13888572D+02
           C( 20) =-0.45047499D+00
          EX( 21) = 0.25942651D+02
           C( 21) = 0.37930055D-02
          EX( 22) = 0.42237516D+01
           C( 22) =-0.12297342D-01
          EX( 23) = 0.18237775D+01
           C( 23) =-0.53817063D-02
          EX( 24) = 0.29758746D+01
           C( 24) =-0.75489385D-03
          EX( 25) = 0.53215608D+00
           C( 25) = 0.24423599D-02
          EX( 26) = 0.21334964D+00
           C( 26) = 0.12165282D-02
          EX( 27) = 0.28328693D+05
           C( 27) = 0.27190323D-02
          EX( 28) = 0.32933084D+04
           C( 28) = 0.19066177D-01
          EX( 29) = 0.68749746D+03
           C( 29) = 0.65925062D-01
          EX( 30) = 0.18527920D+03
           C( 30) = 0.76779370D-01
          EX( 31) = 0.30329819D+03
           C( 31) = 0.50010429D-01
          EX( 32) = 0.33317883D+02
           C( 32) =-0.32037623D+00
          EX( 33) = 0.13888572D+02
           C( 33) =-0.21626964D+00
          EX( 34) = 0.25942651D+02
           C( 34) =-0.26809301D+00
          EX( 35) = 0.42237516D+01
           C( 35) = 0.86918706D+00
          EX( 36) = 0.18237775D+01
           C( 36) = 0.38038380D+00
          EX( 37) = 0.29758746D+01
           C( 37) =-0.10904960D-02
          EX( 38) = 0.53215608D+00
           C( 38) = 0.35281563D-02
          EX( 39) = 0.21334964D+00
           C( 39) = 0.17573583D-02
          EX( 40) = 0.28328693D+05
           C( 40) = 0.92778540D-03
          EX( 41) = 0.32933084D+04
           C( 41) = 0.65057415D-02
          EX( 42) = 0.68749746D+03
           C( 42) = 0.22494882D-01
          EX( 43) = 0.18527920D+03
           C( 43) = 0.26198578D-01
          EX( 44) = 0.30329819D+03
           C( 44) = 0.16762341D-01
          EX( 45) = 0.33317883D+02
           C( 45) =-0.10738271D+00
          EX( 46) = 0.13888572D+02
           C( 46) =-0.72488588D-01
          EX( 47) = 0.25942651D+02
           C( 47) =-0.11910612D+00
          EX( 48) = 0.42237516D+01
           C( 48) = 0.38615516D+00
          EX( 49) = 0.18237775D+01
           C( 49) = 0.16899373D+00
          EX( 50) = 0.29758746D+01
           C( 50) = 0.25801619D+00
          EX( 51) = 0.53215608D+00
           C( 51) =-0.83477746D+00
          EX( 52) = 0.21334964D+00
           C( 52) =-0.41579880D+00
          EX( 53) = 0.92246996D+03
           C( 53) = 0.29319890D-01
          EX( 54) = 0.19833832D+03
           C( 54) = 0.19481622D+00
          EX( 55) = 0.60242121D+02
           C( 55) = 0.51722750D+00
          EX( 56) = 0.20795770D+02
           C( 56) = 0.41635046D+00
          EX( 57) = 0.96387925D+01
           C( 57) = 0.12518928D-01
          EX( 58) = 0.38187607D+01
           C( 58) = 0.18619146D-01
          EX( 59) = 0.16000815D+01
           C( 59) = 0.55487442D-02
          EX( 60) = 0.83674955D+00
           C( 60) =-0.35452796D-02
          EX( 61) = 0.33296231D+00
           C( 61) =-0.45916375D-02
          EX( 62) = 0.13033297D+00
           C( 62) =-0.14012016D-02
          EX( 63) = 0.92246996D+03
           C( 63) = 0.13341965D-01
          EX( 64) = 0.19833832D+03
           C( 64) = 0.88650775D-01
          EX( 65) = 0.60242121D+02
           C( 65) = 0.23536346D+00
          EX( 66) = 0.20795770D+02
           C( 66) = 0.18945954D+00
          EX( 67) = 0.96387925D+01
           C( 67) =-0.40680055D+00
          EX( 68) = 0.38187607D+01
           C( 68) =-0.60502617D+00
          EX( 69) = 0.16000815D+01
           C( 69) =-0.18030555D+00
          EX( 70) = 0.83674955D+00
           C( 70) =-0.14063777D-02
          EX( 71) = 0.33296231D+00
           C( 71) =-0.18214576D-02
          EX( 72) = 0.13033297D+00
           C( 72) =-0.55584293D-03
          EX( 73) = 0.68936120D+02
           C( 73) = 0.70382643D-01
          EX( 74) = 0.18066950D+02
           C( 74) = 0.32979776D+00
          EX( 75) = 0.57459258D+01
           C( 75) = 0.55636270D+00
          EX( 76) = 0.18245340D+01
           C( 76) = 0.31481375D+00
          RETURN
          END IF
        END IF
        IERR=2
        RETURN
      END IF
C
C     --- 
C
      IF(IZSAVE.EQ.38) THEN
        ITYP(1)=122
        IF (MMPTYP.EQ.122) THEN
          IF (MMPMOD.EQ.0) THEN
C
C*************************************************************
C     TITLE : SR/QR             CONFIGURATION : P06S02       *
C   VALENCE : (5S/4P)           BASIS SET     : ( 7/ 5)      *
C          EFFECTIVE CORE CHARGE :  8.000000                 *
C*************************************************************
C
C  ***     TOTAL ENERGY         =  -18.650617 A.U.
C
C  ***     ORBITAL ENERGY( 5S ) =    -.1809   A.U.
C  ***     ORBITAL ENERGY( 4P ) =   -1.0950   A.U.
C
C         --- VALENCE-SHELL BASIS-SET
C
          ZCORE = IZSAVE -  8.0D+00
          SHINFO='5S/4P'
          NOSH= 2
          CDFCTR(1)='61'
          CDFCTR(2)='5'
             KNG(1)= 7
            KTYP(1)= 1
             KNG(2)= 5
            KTYP(2)= 2
          EX( 1)= 0.61582962D+03
           C( 1)=-0.17120520D-01
          EX( 2)= 0.25369962D+02
           C( 2)= 0.78903761D-01
          EX( 3)= 0.37269726D+01
           C( 3)=-0.22721097D+00
          EX( 4)= 0.53417186D+00
           C( 4)= 0.41270280D+00
          EX( 5)= 0.26407172D+00
           C( 5)= 0.19628986D+00
          EX( 6)= 0.54497080D-01
           C( 6)=-0.70566658D+00
          EX( 7)= 0.22185980D-01
           C( 7)=-0.46577168D+00
          EX( 8)= 0.30779957D+03
           C( 8)=-0.29745012D-01
          EX( 9)= 0.64182529D+02
           C( 9)=-0.11393288D+00
          EX(10)= 0.56133157D+01
           C(10)= 0.36485605D+00
          EX(11)= 0.64704805D+00
           C(11)=-0.77751584D+00
          EX(12)= 0.22756224D+00
           C(12)=-0.31110353D+00
          RETURN
        ELSE
C
C         --- CORE-SHELLS AND MODEL-POTENTIAL
C
          ZCORE = IZSAVE -  8.0D+00
          NOAN0=  3
          NOAN1=  3
C         --- A-PARAMETERS FOR N=0
            AN0( 1)= 0.18864645D+01
          ALPN0( 1)= 0.18163010D+03
            AN0( 2)= 0.98559830D+00
          ALPN0( 2)= 0.87871336D+01
            AN0( 3)= 0.28924431D+00
          ALPN0( 3)= 0.17177686D+01
C         --- A-PARAMETERS FOR N=1
            AN1( 1)= 0.20751428D+03
          ALPN1( 1)= 0.32612703D+04
            AN1( 2)= 0.13292153D+02
          ALPN1( 2)= 0.43364504D+02
            AN1( 3)= 0.41592303D+00
          ALPN1( 3)= 0.13706534D+01
C         --- CORE-SHELL INFORMATION 
          NOSH     =  7
          KTYP( 1) =  1
           KNG( 1) = 13
          BPAR( 1) = 0.11918658D+04
          KTYP( 2) =  1
           KNG( 2) = 13
          BPAR( 2) = 0.16639380D+03
          KTYP( 3) =  1
           KNG( 3) = 13
          BPAR( 3) = 0.27926500D+02
          KTYP( 4) =  1
           KNG( 4) = 13
          BPAR( 4) = 0.38978400D+01
          KTYP( 5) =  2
           KNG( 5) = 10
          BPAR( 5) = 0.14751486D+03
          KTYP( 6) =  2
           KNG( 6) = 10
          BPAR( 6) = 0.21626220D+02
          KTYP( 7) =  3
           KNG( 7) =  4
          BPAR( 7) = 0.11186520D+02
C         --- EXPONENTS AND COEFFICIENTS 
          EX(  1) = 0.30571881D+05
           C(  1) = 0.18541296D-01
          EX(  2) = 0.35228841D+04
           C(  2) = 0.12984695D+00
          EX(  3) = 0.73185390D+03
           C(  3) = 0.45034132D+00
          EX(  4) = 0.19666038D+03
           C(  4) = 0.52731009D+00
          EX(  5) = 0.32227286D+03
           C(  5) =-0.42133674D-02
          EX(  6) = 0.35460292D+02
           C(  6) = 0.27014279D-01
          EX(  7) = 0.14833419D+02
           C(  7) = 0.18379437D-01
          EX(  8) = 0.27669612D+02
           C(  8) = 0.56020867D-02
          EX(  9) = 0.45278393D+01
           C(  9) =-0.18183439D-01
          EX( 10) = 0.19687929D+01
           C( 10) =-0.77081428D-02
          EX( 11) = 0.32731405D+01
           C( 11) = 0.00000000D+00
          EX( 12) = 0.61073453D+00
           C( 12) = 0.00000000D+00
          EX( 13) = 0.25671842D+00
           C( 13) = 0.00000000D+00
          EX( 14) = 0.30571881D+05
           C( 14) = 0.66193097D-02
          EX( 15) = 0.35228841D+04
           C( 15) = 0.46355829D-01
          EX( 16) = 0.73185390D+03
           C( 16) = 0.16077348D+00
          EX( 17) = 0.19666038D+03
           C( 17) = 0.18825160D+00
          EX( 18) = 0.32227286D+03
           C( 18) = 0.10373606D+00
          EX( 19) = 0.35460292D+02
           C( 19) =-0.66511054D+00
          EX( 20) = 0.14833419D+02
           C( 20) =-0.45251467D+00
          EX( 21) = 0.27669612D+02
           C( 21) = 0.39811766D-02
          EX( 22) = 0.45278393D+01
           C( 22) =-0.12922236D-01
          EX( 23) = 0.19687929D+01
           C( 23) =-0.54778655D-02
          EX( 24) = 0.32731405D+01
           C( 24) =-0.88915121D-03
          EX( 25) = 0.61073453D+00
           C( 25) = 0.27691450D-02
          EX( 26) = 0.25671842D+00
           C( 26) = 0.12558436D-02
          EX( 27) = 0.30571881D+05
           C( 27) = 0.27440064D-02
          EX( 28) = 0.35228841D+04
           C( 28) = 0.19216610D-01
          EX( 29) = 0.73185390D+03
           C( 29) = 0.66647956D-01
          EX( 30) = 0.19666038D+03
           C( 30) = 0.78038894D-01
          EX( 31) = 0.32227286D+03
           C( 31) = 0.50298824D-01
          EX( 32) = 0.35460292D+02
           C( 32) =-0.32249418D+00
          EX( 33) = 0.14833419D+02
           C( 33) =-0.21941218D+00
          EX( 34) = 0.27669612D+02
           C( 34) =-0.27100422D+00
          EX( 35) = 0.45278393D+01
           C( 35) = 0.87963451D+00
          EX( 36) = 0.19687929D+01
           C( 36) = 0.37288591D+00
          EX( 37) = 0.32731405D+01
           C( 37) =-0.11689808D-02
          EX( 38) = 0.61073453D+00
           C( 38) = 0.36406376D-02
          EX( 39) = 0.25671842D+00
           C( 39) = 0.16510770D-02
          EX( 40) = 0.30571881D+05
           C( 40) = 0.98365025D-03
          EX( 41) = 0.35228841D+04
           C( 41) = 0.68886222D-02
          EX( 42) = 0.73185390D+03
           C( 42) = 0.23891445D-01
          EX( 43) = 0.19666038D+03
           C( 43) = 0.27974781D-01
          EX( 44) = 0.32227286D+03
           C( 44) = 0.17829489D-01
          EX( 45) = 0.35460292D+02
           C( 45) =-0.11431493D+00
          EX( 46) = 0.14833419D+02
           C( 46) =-0.77775316D-01
          EX( 47) = 0.27669612D+02
           C( 47) =-0.12679031D+00
          EX( 48) = 0.45278393D+01
           C( 48) = 0.41154022D+00
          EX( 49) = 0.19687929D+01
           C( 49) = 0.17445604D+00
          EX( 50) = 0.32731405D+01
           C( 50) = 0.28072606D+00
          EX( 51) = 0.61073453D+00
           C( 51) =-0.87428457D+00
          EX( 52) = 0.25671842D+00
           C( 52) =-0.39649953D+00
          EX( 53) = 0.98820349D+03
           C( 53) = 0.28953955D-01
          EX( 54) = 0.21224552D+03
           C( 54) = 0.19296081D+00
          EX( 55) = 0.64479576D+02
           C( 55) = 0.51542279D+00
          EX( 56) = 0.22289065D+02
           C( 56) = 0.41898779D+00
          EX( 57) = 0.10324762D+02
           C( 57) = 0.13139618D-01
          EX( 58) = 0.41141679D+01
           C( 58) = 0.19422118D-01
          EX( 59) = 0.17377035D+01
           C( 59) = 0.55961711D-02
          EX( 60) = 0.95165442D+00
           C( 60) =-0.39849714D-02
          EX( 61) = 0.39042515D+00
           C( 61) =-0.48468385D-02
          EX( 62) = 0.15393836D+00
           C( 62) =-0.11944701D-02
          EX( 63) = 0.98820349D+03
           C( 63) = 0.13336957D-01
          EX( 64) = 0.21224552D+03
           C( 64) = 0.88882857D-01
          EX( 65) = 0.64479576D+02
           C( 65) = 0.23741737D+00
          EX( 66) = 0.22289065D+02
           C( 66) = 0.19299686D+00
          EX( 67) = 0.10324762D+02
           C( 67) =-0.41041660D+00
          EX( 68) = 0.41141679D+01
           C( 68) =-0.60665077D+00
          EX( 69) = 0.17377035D+01
           C( 69) =-0.17479667D+00
          EX( 70) = 0.95165442D+00
           C( 70) =-0.14037895D-02
          EX( 71) = 0.39042515D+00
           C( 71) =-0.17074003D-02
          EX( 72) = 0.15393836D+00
           C( 72) =-0.42077708D-03
          EX( 73) = 0.75811641D+02
           C( 73) = 0.68214907D-01
          EX( 74) = 0.19963576D+02
           C( 74) = 0.32501226D+00
          EX( 75) = 0.64059186D+01
           C( 75) = 0.55737166D+00
          EX( 76) = 0.20655850D+01
           C( 76) = 0.31515585D+00
          RETURN
          END IF
        END IF
        IERR=2
        RETURN
      END IF
C
C     --- 
C
      IF(IZSAVE.EQ.49) THEN
        ITYP(1)=121
        ITYP(2)=122
C ---
        IF (MMPTYP.EQ.122) THEN
          IF (MMPMOD.EQ.0) THEN
C
C*************************************************************
C     TITLE : IN/QR             CONFIGURATION : S02P01D10    *
C   VALENCE : (5S/5P/4D)        BASIS SET     : ( 8/ 7/ 6)   *
C          EFFECTIVE CORE CHARGE : 13.000000                 *
C*************************************************************
C
C  ***     TOTAL ENERGY         =   -57.49251070 A.U.
C
C  ***     ORBITAL ENERGY( 5S ) =  -.396280 A.U. <REFERENCE =  -.396398>
C  ***     ORBITAL ENERGY( 5P ) =  -.194773 A.U. <REFERENCE =  -.194694>
C  ***     ORBITAL ENERGY( 4D ) = -1.011894 A.U. <REFERENCE = -1.012182>
C
C  ***     ORBITAL ENERGY DEV. =    .00048     DENSITY DEV. =    .01055
C
C         --- VALENCE-SHELL BASIS-SET
C
          ZCORE = IZSAVE - 13.0D+00
          SHINFO='5S/5P/4D'
          NOSH= 3
          CDFCTR(1)='71'
          CDFCTR(2)='61'
          CDFCTR(3)='6'
             KNG(1)= 8
            KTYP(1)= 1
             KNG(2)= 7
            KTYP(2)= 2
             KNG(3)= 6
            KTYP(3)= 3
          EX( 1)= 0.11372411D+04
           C( 1)=-0.19316938D-01
          EX( 2)= 0.44793984D+02
           C( 2)= 0.10940963D+00
          EX( 3)= 0.81231295D+01
           C( 3)=-0.30968937D+00
          EX( 4)= 0.16893120D+01
           C( 4)= 0.30240782D+00
          EX( 5)= 0.94858125D+00
           C( 5)= 0.36182945D+00
          EX( 6)= 0.17261648D+00
           C( 6)=-0.57814794D+00
          EX( 7)= 0.82470952D-01
           C( 7)=-0.44945461D+00
          EX( 8)= 0.41014125D-01
           C( 8)=-0.16010962D+00
          EX( 9)= 0.16291105D+03
           C( 9)= 0.27877054D-01
          EX(10)= 0.11088981D+02
           C(10)=-0.10074239D+00
          EX(11)= 0.19522139D+01
           C(11)= 0.20309325D+00
          EX(12)= 0.61574489D+00
           C(12)= 0.13485190D+00
          EX(13)= 0.28491675D+00
           C(13)=-0.27561840D+00
          EX(14)= 0.92825537D-01
           C(14)=-0.60417205D+00
          EX(15)= 0.33460247D-01
           C(15)=-0.32537005D+00
          EX(16)= 0.12785717D+03
           C(16)=-0.30108104D-01
          EX(17)= 0.37242003D+02
           C(17)=-0.12608501D+00
          EX(18)= 0.14387833D+02
           C(18)=-0.16625795D+00
          EX(19)= 0.26776463D+01
           C(19)= 0.38303232D+00
          EX(20)= 0.10435785D+01
           C(20)= 0.54604003D+00
          EX(21)= 0.35436787D+00
           C(21)= 0.24174273D+00
          RETURN
        ELSE
C
C         --- CORE-SHELLS AND MODEL-POTENTIAL
C
          ZCORE = IZSAVE - 13.0D+00
          NOAN0=  3
          NOAN1=  3
C         --- A-PARAMETERS FOR N=0
            AN0( 1)= 0.21740998D+01
          ALPN0( 1)= 0.21454749D+03
            AN0( 2)= 0.69552987D+00
          ALPN0( 2)= 0.62350919D+01
            AN0( 3)= 0.17880049D+00
          ALPN0( 3)= 0.11887151D+01
C         --- A-PARAMETERS FOR N=1
            AN1( 1)= 0.95429310D+01
          ALPN1( 1)= 0.16511028D+04
            AN1( 2)= 0.65398172D+01
          ALPN1( 2)= 0.37560330D+02
            AN1( 3)= 0.92117722D-01
          ALPN1( 3)= 0.11090949D+01
C         --- CORE-SHELL INFORMATION 
          NOSH     =  8
          KTYP( 1) =  1
           KNG( 1) = 13
          BPAR( 1) = 0.20673992D+04
          KTYP( 2) =  1
           KNG( 2) = 13
          BPAR( 2) = 0.31623400D+03
          KTYP( 3) =  1
           KNG( 3) = 13
          BPAR( 3) = 0.62859304D+02
          KTYP( 4) =  1
           KNG( 4) = 13
          BPAR( 4) = 0.10620561D+02
          KTYP( 5) =  2
           KNG( 5) = 10
          BPAR( 5) = 0.28357658D+03
          KTYP( 6) =  2
           KNG( 6) = 10
          BPAR( 6) = 0.51854474D+02
          KTYP( 7) =  2
           KNG( 7) = 10
          BPAR( 7) = 0.71636290D+01
          KTYP( 8) =  3
           KNG( 8) =  7
          BPAR( 8) = 0.34739834D+02
C         --- EXPONENTS AND COEFFICIENTS 
          EX(  1) = 0.67902795D+05
           C(  1) = 0.17765200D-01
          EX(  2) = 0.70403259D+04
           C(  2) = 0.12134202D+00
          EX(  3) = 0.13754032D+04
           C(  3) = 0.43558778D+00
          EX(  4) = 0.35582550D+03
           C(  4) = 0.55026161D+00
          EX(  5) = 0.59030322D+03
           C(  5) =-0.47543554D-02
          EX(  6) = 0.64253570D+02
           C(  6) = 0.31991241D-01
          EX(  7) = 0.27485271D+02
           C(  7) = 0.23110869D-01
          EX(  8) = 0.51345442D+02
           C(  8) = 0.73071061D-02
          EX(  9) = 0.86991986D+01
           C(  9) =-0.24216460D-01
          EX( 10) = 0.38481730D+01
           C( 10) =-0.75674129D-02
          EX( 11) = 0.76417927D+01
           C( 11) = 0.00000000D+00
          EX( 12) = 0.16538411D+01
           C( 12) = 0.00000000D+00
          EX( 13) = 0.70057510D+00
           C( 13) = 0.00000000D+00
          EX( 14) = 0.67902795D+05
           C( 14) = 0.65981823D-02
          EX( 15) = 0.70403259D+04
           C( 15) = 0.45067705D-01
          EX( 16) = 0.13754032D+04
           C( 16) = 0.16178189D+00
          EX( 17) = 0.35582550D+03
           C( 17) = 0.20437296D+00
          EX( 18) = 0.59030322D+03
           C( 18) = 0.96284630D-01
          EX( 19) = 0.64253570D+02
           C( 19) =-0.64788274D+00
          EX( 20) = 0.27485271D+02
           C( 20) =-0.46803853D+00
          EX( 21) = 0.51345442D+02
           C( 21) = 0.49849404D-02
          EX( 22) = 0.86991986D+01
           C( 22) =-0.16520576D-01
          EX( 23) = 0.38481730D+01
           C( 23) =-0.51625230D-02
          EX( 24) = 0.76417927D+01
           C( 24) =-0.13471639D-02
          EX( 25) = 0.16538411D+01
           C( 25) = 0.34806531D-02
          EX( 26) = 0.70057510D+00
           C( 26) = 0.14195816D-02
          EX( 27) = 0.67902795D+05
           C( 27) = 0.29341346D-02
          EX( 28) = 0.70403259D+04
           C( 28) = 0.20041081D-01
          EX( 29) = 0.13754032D+04
           C( 29) = 0.71942513D-01
          EX( 30) = 0.35582550D+03
           C( 30) = 0.90882264D-01
          EX( 31) = 0.59030322D+03
           C( 31) = 0.50429107D-01
          EX( 32) = 0.64253570D+02
           C( 32) =-0.33932880D+00
          EX( 33) = 0.27485271D+02
           C( 33) =-0.24513533D+00
          EX( 34) = 0.51345442D+02
           C( 34) =-0.29443383D+00
          EX( 35) = 0.86991986D+01
           C( 35) = 0.97578230D+00
          EX( 36) = 0.38481730D+01
           C( 36) = 0.30492268D+00
          EX( 37) = 0.76417927D+01
           C( 37) =-0.10881228D-02
          EX( 38) = 0.16538411D+01
           C( 38) = 0.28113714D-02
          EX( 39) = 0.70057510D+00
           C( 39) = 0.11466156D-02
          EX( 40) = 0.67902795D+05
           C( 40) = 0.12620427D-02
          EX( 41) = 0.70403259D+04
           C( 41) = 0.86201570D-02
          EX( 42) = 0.13754032D+04
           C( 42) = 0.30944227D-01
          EX( 43) = 0.35582550D+03
           C( 43) = 0.39090675D-01
          EX( 44) = 0.59030322D+03
           C( 44) = 0.22459860D-01
          EX( 45) = 0.64253570D+02
           C( 45) =-0.15112853D+00
          EX( 46) = 0.27485271D+02
           C( 46) =-0.10917713D+00
          EX( 47) = 0.51345442D+02
           C( 47) =-0.16889340D+00
          EX( 48) = 0.86991986D+01
           C( 48) = 0.55972912D+00
          EX( 49) = 0.38481730D+01
           C( 49) = 0.17491003D+00
          EX( 50) = 0.76417927D+01
           C( 50) = 0.37970495D+00
          EX( 51) = 0.16538411D+01
           C( 51) =-0.98103970D+00
          EX( 52) = 0.70057510D+00
           C( 52) =-0.40011626D+00
          EX( 53) = 0.19477817D+04
           C( 53) = 0.25288440D-01
          EX( 54) = 0.41164543D+03
           C( 54) = 0.17309322D+00
          EX( 55) = 0.12477473D+03
           C( 55) = 0.49300221D+00
          EX( 56) = 0.43654944D+02
           C( 56) = 0.44653013D+00
          EX( 57) = 0.19608514D+02
           C( 57) = 0.23587260D-01
          EX( 58) = 0.81080293D+01
           C( 58) = 0.33592070D-01
          EX( 59) = 0.34813036D+01
           C( 59) = 0.69527044D-02
          EX( 60) = 0.26693979D+01
           C( 60) =-0.11615670D-01
          EX( 61) = 0.11539222D+01
           C( 61) =-0.12598320D-01
          EX( 62) = 0.46959886D+00
           C( 62) =-0.27788875D-02
          EX( 63) = 0.19477817D+04
           C( 63) = 0.12783074D-01
          EX( 64) = 0.41164543D+03
           C( 64) = 0.87497031D-01
          EX( 65) = 0.12477473D+03
           C( 65) = 0.24920808D+00
          EX( 66) = 0.43654944D+02
           C( 66) = 0.22571687D+00
          EX( 67) = 0.19608514D+02
           C( 67) =-0.43781343D+00
          EX( 68) = 0.81080293D+01
           C( 68) =-0.62351706D+00
          EX( 69) = 0.34813036D+01
           C( 69) =-0.12905218D+00
          EX( 70) = 0.26693979D+01
           C( 70) =-0.11273828D-02
          EX( 71) = 0.11539222D+01
           C( 71) =-0.12227559D-02
          EX( 72) = 0.46959886D+00
           C( 72) =-0.26971065D-03
          EX( 73) = 0.19477817D+04
           C( 73) = 0.53434619D-02
          EX( 74) = 0.41164543D+03
           C( 74) = 0.36574698D-01
          EX( 75) = 0.12477473D+03
           C( 75) = 0.10417165D+00
          EX( 76) = 0.43654944D+02
           C( 76) = 0.94352076D-01
          EX( 77) = 0.19608514D+02
           C( 77) =-0.25941905D+00
          EX( 78) = 0.81080293D+01
           C( 78) =-0.36945466D+00
          EX( 79) = 0.34813036D+01
           C( 79) =-0.76467720D-01
          EX( 80) = 0.26693979D+01
           C( 80) = 0.54285498D+00
          EX( 81) = 0.11539222D+01
           C( 81) = 0.58877881D+00
          EX( 82) = 0.46959886D+00
           C( 82) = 0.12987049D+00
          EX( 83) = 0.18118995D+03
           C( 83) = 0.48978025D-01
          EX( 84) = 0.49311535D+02
           C( 84) = 0.26952382D+00
          EX( 85) = 0.16860805D+02
           C( 85) = 0.54706222D+00
          EX( 86) = 0.61061480D+01
           C( 86) = 0.35046249D+00
          EX( 87) = 0.40880389D+01
           C( 87) = 0.65809495D-02
          EX( 88) = 0.13598360D+01
           C( 88) = 0.12904444D-01
          EX( 89) = 0.42195639D+00
           C( 89) = 0.71290238D-02
          RETURN
          END IF
C ---
        ELSE IF (MMPTYP.EQ.121) THEN
          IF (MMPMOD.EQ.0) THEN
C
C*************************************************************
C     TITLE : IN/QR             CONFIGURATION : S02P01       *
C   VALENCE : (5S/5P)           BASIS SET     : ( 6/ 5)      *
C          EFFECTIVE CORE CHARGE :  3.000000                 *
C*************************************************************
C
C  ***     TOTAL ENERGY         =   -1.825477 A.U.
C
C  ***     ORBITAL ENERGY( 5S ) =    -.3964   A.U.
C  ***     ORBITAL ENERGY( 5P ) =    -.1947   A.U.
C
C         --- VALENCE-SHELL BASIS-SET
C
          ZCORE = IZSAVE -  3.0D+00
          SHINFO='5S/5P'
          NOSH= 2
          CDFCTR(1)='51'
          CDFCTR(2)='41'
             KNG(1)= 6
            KTYP(1)= 1
             KNG(2)= 5
            KTYP(2)= 2
          EX( 1)= 0.30653749D+02
           C( 1)=-0.93090210D-01
          EX( 2)= 0.77291192D+01
           C( 2)= 0.32522144D+00
          EX( 3)= 0.18290762D+01
           C( 3)=-0.31130401D+00
          EX( 4)= 0.98515871D+00
           C( 4)=-0.34461591D+00
          EX( 5)= 0.15350965D+00
           C( 5)= 0.77120708D+00
          EX( 6)= 0.56905920D-01
           C( 6)= 0.40299910D+00
          EX( 7)= 0.12559005D+02
           C( 7)= 0.77648569D-01
          EX( 8)= 0.16037320D+01
           C( 8)=-0.20494663D+00
          EX( 9)= 0.15820406D+00
           C( 9)= 0.51227016D+00
          EX(10)= 0.59392260D-01
           C(10)= 0.45544760D+00
          EX(11)= 0.24452150D-01
           C(11)= 0.16463810D+00
          RETURN
        ELSE
C
C         --- CORE-SHELLS AND MODEL-POTENTIAL
C
          ZCORE = IZSAVE -  3.0D+00
          NOAN0=  3
          NOAN1=  3
C         --- A-PARAMETERS FOR N=0
            AN0( 1)= 0.34476081D+01
          ALPN0( 1)= 0.93821039D+03
            AN0( 2)= 0.73291807D+01
          ALPN0( 2)= 0.81033648D+01
            AN0( 3)= 0.24833358D+01
          ALPN0( 3)= 0.80992405D+00
C         --- A-PARAMETERS FOR N=1
            AN1( 1)= 0.13395590D+03
          ALPN1( 1)= 0.50881253D+04
            AN1( 2)= 0.56330196D+02
          ALPN1( 2)= 0.11600138D+03
            AN1( 3)=-0.40046818D+02
          ALPN1( 3)= 0.39361181D+03
C         --- CORE-SHELL INFORMATION 
          NOSH     =  9
          KTYP( 1) =  1
           KNG( 1) = 13
          BPAR( 1) = 0.13438097D+04
          KTYP( 2) =  1
           KNG( 2) = 13
          BPAR( 2) = 0.20555220D+03
          KTYP( 3) =  1
           KNG( 3) = 13
          BPAR( 3) = 0.40858571D+02
          KTYP( 4) =  1
           KNG( 4) = 13
          BPAR( 4) = 0.69033380D+01
          KTYP( 5) =  2
           KNG( 5) = 10
          BPAR( 5) = 0.18432496D+03
          KTYP( 6) =  2
           KNG( 6) = 10
          BPAR( 6) = 0.33705477D+02
          KTYP( 7) =  2
           KNG( 7) = 10
          BPAR( 7) = 0.46563387D+01
          KTYP( 8) =  3
           KNG( 8) =  7
          BPAR( 8) = 0.22581026D+02
          KTYP( 9) =  3
           KNG( 9) =  7
          BPAR( 9) = 0.13158327D+01
C         --- EXPONENTS AND COEFFICIENTS 
          EX(  1) = 0.67902795D+05
           C(  1) = 0.17765200D-01
          EX(  2) = 0.70403259D+04
           C(  2) = 0.12134202D+00
          EX(  3) = 0.13754032D+04
           C(  3) = 0.43558778D+00
          EX(  4) = 0.35582550D+03
           C(  4) = 0.55026161D+00
          EX(  5) = 0.59030322D+03
           C(  5) =-0.47543554D-02
          EX(  6) = 0.64253570D+02
           C(  6) = 0.31991241D-01
          EX(  7) = 0.27485271D+02
           C(  7) = 0.23110869D-01
          EX(  8) = 0.51345442D+02
           C(  8) = 0.73071061D-02
          EX(  9) = 0.86991986D+01
           C(  9) =-0.24216460D-01
          EX( 10) = 0.38481730D+01
           C( 10) =-0.75674129D-02
          EX( 11) = 0.76417927D+01
           C( 11) = 0.00000000D+00
          EX( 12) = 0.16538411D+01
           C( 12) = 0.00000000D+00
          EX( 13) = 0.70057510D+00
           C( 13) = 0.00000000D+00
          EX( 14) = 0.67902795D+05
           C( 14) = 0.65981824D-02
          EX( 15) = 0.70403259D+04
           C( 15) = 0.45067705D-01
          EX( 16) = 0.13754032D+04
           C( 16) = 0.16178189D+00
          EX( 17) = 0.35582550D+03
           C( 17) = 0.20437296D+00
          EX( 18) = 0.59030322D+03
           C( 18) = 0.96284631D-01
          EX( 19) = 0.64253570D+02
           C( 19) =-0.64788275D+00
          EX( 20) = 0.27485271D+02
           C( 20) =-0.46803853D+00
          EX( 21) = 0.51345442D+02
           C( 21) = 0.49849404D-02
          EX( 22) = 0.86991986D+01
           C( 22) =-0.16520576D-01
          EX( 23) = 0.38481730D+01
           C( 23) =-0.51625230D-02
          EX( 24) = 0.76417927D+01
           C( 24) =-0.13471639D-02
          EX( 25) = 0.16538411D+01
           C( 25) = 0.34806531D-02
          EX( 26) = 0.70057510D+00
           C( 26) = 0.14195816D-02
          EX( 27) = 0.67902795D+05
           C( 27) = 0.29341346D-02
          EX( 28) = 0.70403259D+04
           C( 28) = 0.20041081D-01
          EX( 29) = 0.13754032D+04
           C( 29) = 0.71942513D-01
          EX( 30) = 0.35582550D+03
           C( 30) = 0.90882264D-01
          EX( 31) = 0.59030322D+03
           C( 31) = 0.50429107D-01
          EX( 32) = 0.64253570D+02
           C( 32) =-0.33932880D+00
          EX( 33) = 0.27485271D+02
           C( 33) =-0.24513533D+00
          EX( 34) = 0.51345442D+02
           C( 34) =-0.29443383D+00
          EX( 35) = 0.86991986D+01
           C( 35) = 0.97578230D+00
          EX( 36) = 0.38481730D+01
           C( 36) = 0.30492268D+00
          EX( 37) = 0.76417927D+01
           C( 37) =-0.10881228D-02
          EX( 38) = 0.16538411D+01
           C( 38) = 0.28113714D-02
          EX( 39) = 0.70057510D+00
           C( 39) = 0.11466156D-02
          EX( 40) = 0.67902795D+05
           C( 40) = 0.12620427D-02
          EX( 41) = 0.70403259D+04
           C( 41) = 0.86201570D-02
          EX( 42) = 0.13754032D+04
           C( 42) = 0.30944227D-01
          EX( 43) = 0.35582550D+03
           C( 43) = 0.39090675D-01
          EX( 44) = 0.59030322D+03
           C( 44) = 0.22459860D-01
          EX( 45) = 0.64253570D+02
           C( 45) =-0.15112853D+00
          EX( 46) = 0.27485271D+02
           C( 46) =-0.10917713D+00
          EX( 47) = 0.51345442D+02
           C( 47) =-0.16889340D+00
          EX( 48) = 0.86991986D+01
           C( 48) = 0.55972912D+00
          EX( 49) = 0.38481730D+01
           C( 49) = 0.17491003D+00
          EX( 50) = 0.76417927D+01
           C( 50) = 0.37970495D+00
          EX( 51) = 0.16538411D+01
           C( 51) =-0.98103970D+00
          EX( 52) = 0.70057510D+00
           C( 52) =-0.40011626D+00
          EX( 53) = 0.19477817D+04
           C( 53) = 0.25288440D-01
          EX( 54) = 0.41164543D+03
           C( 54) = 0.17309322D+00
          EX( 55) = 0.12477473D+03
           C( 55) = 0.49300221D+00
          EX( 56) = 0.43654944D+02
           C( 56) = 0.44653013D+00
          EX( 57) = 0.19608514D+02
           C( 57) = 0.23587260D-01
          EX( 58) = 0.81080293D+01
           C( 58) = 0.33592070D-01
          EX( 59) = 0.34813036D+01
           C( 59) = 0.69527044D-02
          EX( 60) = 0.26693979D+01
           C( 60) =-0.11615670D-01
          EX( 61) = 0.11539222D+01
           C( 61) =-0.12598320D-01
          EX( 62) = 0.46959886D+00
           C( 62) =-0.27788875D-02
          EX( 63) = 0.19477817D+04
           C( 63) = 0.12783074D-01
          EX( 64) = 0.41164543D+03
           C( 64) = 0.87497031D-01
          EX( 65) = 0.12477473D+03
           C( 65) = 0.24920808D+00
          EX( 66) = 0.43654944D+02
           C( 66) = 0.22571687D+00
          EX( 67) = 0.19608514D+02
           C( 67) =-0.43781343D+00
          EX( 68) = 0.81080293D+01
           C( 68) =-0.62351706D+00
          EX( 69) = 0.34813036D+01
           C( 69) =-0.12905218D+00
          EX( 70) = 0.26693979D+01
           C( 70) =-0.11273828D-02
          EX( 71) = 0.11539222D+01
           C( 71) =-0.12227559D-02
          EX( 72) = 0.46959886D+00
           C( 72) =-0.26971065D-03
          EX( 73) = 0.19477817D+04
           C( 73) = 0.53434619D-02
          EX( 74) = 0.41164543D+03
           C( 74) = 0.36574698D-01
          EX( 75) = 0.12477473D+03
           C( 75) = 0.10417165D+00
          EX( 76) = 0.43654944D+02
           C( 76) = 0.94352075D-01
          EX( 77) = 0.19608514D+02
           C( 77) =-0.25941905D+00
          EX( 78) = 0.81080293D+01
           C( 78) =-0.36945466D+00
          EX( 79) = 0.34813036D+01
           C( 79) =-0.76467720D-01
          EX( 80) = 0.26693979D+01
           C( 80) = 0.54285498D+00
          EX( 81) = 0.11539222D+01
           C( 81) = 0.58877881D+00
          EX( 82) = 0.46959886D+00
           C( 82) = 0.12987049D+00
          EX( 83) = 0.18118995D+03
           C( 83) = 0.48978025D-01
          EX( 84) = 0.49311535D+02
           C( 84) = 0.26952382D+00
          EX( 85) = 0.16860805D+02
           C( 85) = 0.54706222D+00
          EX( 86) = 0.61061480D+01
           C( 86) = 0.35046249D+00
          EX( 87) = 0.40880389D+01
           C( 87) = 0.65809495D-02
          EX( 88) = 0.13598360D+01
           C( 88) = 0.12904444D-01
          EX( 89) = 0.42195639D+00
           C( 89) = 0.71290238D-02
          EX( 90) = 0.18118995D+03
           C( 90) = 0.17306844D-01
          EX( 91) = 0.49311535D+02
           C( 91) = 0.95238767D-01
          EX( 92) = 0.16860805D+02
           C( 92) = 0.19330956D+00
          EX( 93) = 0.61061480D+01
           C( 93) = 0.12383920D+00
          EX( 94) = 0.40880389D+01
           C( 94) =-0.31590858D+00
          EX( 95) = 0.13598360D+01
           C( 95) =-0.61945842D+00
          EX( 96) = 0.42195639D+00
           C( 96) =-0.34221806D+00
          RETURN
          END IF
        END IF
        IERR=2
        RETURN
      END IF
C
C     --- 
C
      IF(IZSAVE.EQ.50) THEN
        ITYP(1)=121
        ITYP(2)=122
C ---
        IF (MMPTYP.EQ.122) THEN
          IF (MMPMOD.EQ.0) THEN
C
C*************************************************************
C     TITLE : SN/QR             CONFIGURATION : S02P02D10    *
C   VALENCE : (5S/5P/4D)        BASIS SET     : ( 8/ 7/ 6)   *
C          EFFECTIVE CORE CHARGE : 14.000000                 *
C*************************************************************
C
C  ***     TOTAL ENERGY         =   -69.02702541 A.U.
C
C  ***     ORBITAL ENERGY( 5S ) =  -.506979 A.U. <REFERENCE =  -.506999>
C  ***     ORBITAL ENERGY( 5P ) =  -.263140 A.U. <REFERENCE =  -.263047>
C  ***     ORBITAL ENERGY( 4D ) = -1.307906 A.U. <REFERENCE = -1.307944>
C
C  ***     ORBITAL ENERGY DEV. =    .00015     DENSITY DEV. =    .00588
C
C         --- VALENCE-SHELL BASIS-SET
C
          ZCORE = IZSAVE - 14.0D+00
          SHINFO='5S/5P/4D'
          NOSH= 3
          CDFCTR(1)='71'
          CDFCTR(2)='61'
          CDFCTR(3)='6'
             KNG(1)= 8
            KTYP(1)= 1
             KNG(2)= 7
            KTYP(2)= 2
             KNG(3)= 6
            KTYP(3)= 3
          EX( 1)= 0.11967726D+04
           C( 1)= 0.21436102D-01
          EX( 2)= 0.46892877D+02
           C( 2)=-0.12102084D+00
          EX( 3)= 0.86279989D+01
           C( 3)= 0.34132575D+00
          EX( 4)= 0.19137679D+01
           C( 4)=-0.24934398D+00
          EX( 5)= 0.11266783D+01
           C( 5)=-0.47615164D+00
          EX( 6)= 0.20609095D+00
           C( 6)= 0.58371507D+00
          EX( 7)= 0.11339780D+00
           C( 7)= 0.38611691D+00
          EX( 8)= 0.57638822D-01
           C( 8)= 0.23530969D+00
          EX( 9)= 0.17202382D+03
           C( 9)=-0.33053708D-01
          EX(10)= 0.11374960D+02
           C(10)= 0.12634194D+00
          EX(11)= 0.27356925D+01
           C(11)=-0.13856609D+00
          EX(12)= 0.12849986D+01
           C(12)=-0.19192280D+00
          EX(13)= 0.23538062D+00
           C(13)= 0.39565002D+00
          EX(14)= 0.97549657D-01
           C(14)= 0.53098728D+00
          EX(15)= 0.39813994D-01
           C(15)= 0.20977482D+00
          EX(16)= 0.18452791D+03
           C(16)=-0.19395174D-01
          EX(17)= 0.50378420D+02
           C(17)=-0.10614361D+00
          EX(18)= 0.17367728D+02
           C(18)=-0.20023220D+00
          EX(19)= 0.26845857D+01
           C(19)= 0.44852175D+00
          EX(20)= 0.10391519D+01
           C(20)= 0.52427474D+00
          EX(21)= 0.36984112D+00
           C(21)= 0.18036569D+00
          RETURN
        ELSE
C
C         --- CORE-SHELLS AND MODEL-POTENTIAL
C
          ZCORE = IZSAVE - 14.0D+00
          NOAN0=  3
          NOAN1=  3
C         --- A-PARAMETERS FOR N=0
            AN0( 1)= 0.20906154D+01
          ALPN0( 1)= 0.23993797D+03
            AN0( 2)= 0.64206230D+00
          ALPN0( 2)= 0.68801701D+01
            AN0( 3)= 0.17840146D+00
          ALPN0( 3)= 0.13330555D+01
C         --- A-PARAMETERS FOR N=1
            AN1( 1)= 0.63336272D+01
          ALPN1( 1)= 0.31586491D+04
            AN1( 2)= 0.64830514D+01
          ALPN1( 2)= 0.42061446D+02
            AN1( 3)= 0.89852143D-01
          ALPN1( 3)= 0.12351610D+01
C         --- CORE-SHELL INFORMATION 
          NOSH     =  8
          KTYP( 1) =  1
           KNG( 1) = 13
          BPAR( 1) = 0.21606716D+04
          KTYP( 2) =  1
           KNG( 2) = 13
          BPAR( 2) = 0.33302815D+03
          KTYP( 3) =  1
           KNG( 3) = 13
          BPAR( 3) = 0.67175532D+02
          KTYP( 4) =  1
           KNG( 4) = 13
          BPAR( 4) = 0.11771644D+02
          KTYP( 5) =  2
           KNG( 5) = 10
          BPAR( 5) = 0.29872182D+03
          KTYP( 6) =  2
           KNG( 6) = 10
          BPAR( 6) = 0.55641553D+02
          KTYP( 7) =  2
           KNG( 7) = 10
          BPAR( 7) = 0.81041616D+01
          KTYP( 8) =  3
           KNG( 8) =  7
          BPAR( 8) = 0.37846092D+02
C         --- EXPONENTS AND COEFFICIENTS 
          EX(  1) = 0.72666147D+05
           C(  1) = 0.17739626D-01
          EX(  2) = 0.74585770D+04
           C(  2) = 0.12075150D+00
          EX(  3) = 0.14480480D+04
           C(  3) = 0.43452236D+00
          EX(  4) = 0.37313416D+03
           C(  4) = 0.55203527D+00
          EX(  5) = 0.62062066D+03
           C(  5) =-0.47716997D-02
          EX(  6) = 0.67452495D+02
           C(  6) = 0.32280377D-01
          EX(  7) = 0.28889022D+02
           C(  7) = 0.23494125D-01
          EX(  8) = 0.53962347D+02
           C(  8) = 0.73715573D-02
          EX(  9) = 0.91644520D+01
           C(  9) =-0.24452577D-01
          EX( 10) = 0.40489867D+01
           C( 10) =-0.74979047D-02
          EX( 11) = 0.81160649D+01
           C( 11) = 0.00000000D+00
          EX( 12) = 0.17770423D+01
           C( 12) = 0.00000000D+00
          EX( 13) = 0.76573931D+00
           C( 13) = 0.00000000D+00
          EX( 14) = 0.72666147D+05
           C( 14) = 0.66109217D-02
          EX( 15) = 0.74585770D+04
           C( 15) = 0.44999749D-01
          EX( 16) = 0.14480480D+04
           C( 16) = 0.16193088D+00
          EX( 17) = 0.37313416D+03
           C( 17) = 0.20572373D+00
          EX( 18) = 0.62062066D+03
           C( 18) = 0.95465504D-01
          EX( 19) = 0.67452495D+02
           C( 19) =-0.64582072D+00
          EX( 20) = 0.28889022D+02
           C( 20) =-0.47003765D+00
          EX( 21) = 0.53962347D+02
           C( 21) = 0.50483811D-02
          EX( 22) = 0.91644520D+01
           C( 22) =-0.16746248D-01
          EX( 23) = 0.40489867D+01
           C( 23) =-0.51349096D-02
          EX( 24) = 0.81160649D+01
           C( 24) =-0.13580060D-02
          EX( 25) = 0.17770423D+01
           C( 25) = 0.34807663D-02
          EX( 26) = 0.76573931D+00
           C( 26) = 0.13977290D-02
          EX( 27) = 0.72666147D+05
           C( 27) = 0.29535856D-02
          EX( 28) = 0.74585770D+04
           C( 28) = 0.20104701D-01
          EX( 29) = 0.14480480D+04
           C( 29) = 0.72346449D-01
          EX( 30) = 0.37313416D+03
           C( 30) = 0.91911938D-01
          EX( 31) = 0.62062066D+03
           C( 31) = 0.50254230D-01
          EX( 32) = 0.67452495D+02
           C( 32) =-0.33996807D+00
          EX( 33) = 0.28889022D+02
           C( 33) =-0.24743367D+00
          EX( 34) = 0.53962347D+02
           C( 34) =-0.29598891D+00
          EX( 35) = 0.91644520D+01
           C( 35) = 0.98184022D+00
          EX( 36) = 0.40489867D+01
           C( 36) = 0.30106211D+00
          EX( 37) = 0.81160649D+01
           C( 37) =-0.10220081D-02
          EX( 38) = 0.17770423D+01
           C( 38) = 0.26195548D-02
          EX( 39) = 0.76573931D+00
           C( 39) = 0.10519027D-02
          EX( 40) = 0.72666147D+05
           C( 40) = 0.12872682D-02
          EX( 41) = 0.74585770D+04
           C( 41) = 0.87622795D-02
          EX( 42) = 0.14480480D+04
           C( 42) = 0.31530924D-01
          EX( 43) = 0.37313416D+03
           C( 43) = 0.40058197D-01
          EX( 44) = 0.62062066D+03
           C( 44) = 0.22687243D-01
          EX( 45) = 0.67452495D+02
           C( 45) =-0.15347840D+00
          EX( 46) = 0.28889022D+02
           C( 46) =-0.11170379D+00
          EX( 47) = 0.53962347D+02
           C( 47) =-0.17268774D+00
          EX( 48) = 0.91644520D+01
           C( 48) = 0.57283152D+00
          EX( 49) = 0.40489867D+01
           C( 49) = 0.17564759D+00
          EX( 50) = 0.81160649D+01
           C( 50) = 0.38706362D+00
          EX( 51) = 0.17770423D+01
           C( 51) =-0.99210015D+00
          EX( 52) = 0.76573931D+00
           C( 52) =-0.39838558D+00
          EX( 53) = 0.20417919D+04
           C( 53) = 0.25321956D-01
          EX( 54) = 0.43072747D+03
           C( 54) = 0.17328100D+00
          EX( 55) = 0.13044356D+03
           C( 55) = 0.49365575D+00
          EX( 56) = 0.45581174D+02
           C( 56) = 0.44707309D+00
          EX( 57) = 0.20630081D+02
           C( 57) = 0.22580269D-01
          EX( 58) = 0.85395176D+01
           C( 58) = 0.31891777D-01
          EX( 59) = 0.36612907D+01
           C( 59) = 0.64540504D-02
          EX( 60) = 0.28655412D+01
           C( 60) =-0.10383047D-01
          EX( 61) = 0.12513801D+01
           C( 61) =-0.11164696D-01
          EX( 62) = 0.51735727D+00
           C( 62) =-0.23291528D-02
          EX( 63) = 0.20417919D+04
           C( 63) = 0.12882453D-01
          EX( 64) = 0.43072747D+03
           C( 64) = 0.88156077D-01
          EX( 65) = 0.13044356D+03
           C( 65) = 0.25114558D+00
          EX( 66) = 0.45581174D+02
           C( 66) = 0.22744681D+00
          EX( 67) = 0.20630081D+02
           C( 67) =-0.44186298D+00
          EX( 68) = 0.85395176D+01
           C( 68) =-0.62407563D+00
          EX( 69) = 0.36612907D+01
           C( 69) =-0.12629636D+00
          EX( 70) = 0.28655412D+01
           C( 70) =-0.10678687D-02
          EX( 71) = 0.12513801D+01
           C( 71) =-0.11482591D-02
          EX( 72) = 0.51735727D+00
           C( 72) =-0.23954712D-03
          EX( 73) = 0.20417919D+04
           C( 73) = 0.54833352D-02
          EX( 74) = 0.43072747D+03
           C( 74) = 0.37523079D-01
          EX( 75) = 0.13044356D+03
           C( 75) = 0.10689853D+00
          EX( 76) = 0.45581174D+02
           C( 76) = 0.96811302D-01
          EX( 77) = 0.20630081D+02
           C( 77) =-0.26769745D+00
          EX( 78) = 0.85395176D+01
           C( 78) =-0.37808883D+00
          EX( 79) = 0.36612907D+01
           C( 79) =-0.76515158D-01
          EX( 80) = 0.28655412D+01
           C( 80) = 0.55024438D+00
          EX( 81) = 0.12513801D+01
           C( 81) = 0.59166744D+00
          EX( 82) = 0.51735727D+00
           C( 82) = 0.12343228D+00
          EX( 83) = 0.19300103D+03
           C( 83) = 0.47968292D-01
          EX( 84) = 0.52606049D+02
           C( 84) = 0.26621393D+00
          EX( 85) = 0.18044522D+02
           C( 85) = 0.54597165D+00
          EX( 86) = 0.65702930D+01
           C( 86) = 0.35299130D+00
          EX( 87) = 0.45388163D+01
           C( 87) = 0.67427460D-02
          EX( 88) = 0.15502959D+01
           C( 88) = 0.13527119D-01
          EX( 89) = 0.50023909D+00
           C( 89) = 0.72742154D-02
          RETURN
          END IF
C ---
        ELSE IF (MMPTYP.EQ.121) THEN
          IF (MMPMOD.EQ.0) THEN
C
C*************************************************************
C     TITLE : SN/QR             CONFIGURATION : S02P02       *
C   VALENCE : (5S/5P)           BASIS SET     : ( 6/ 5)      *
C          EFFECTIVE CORE CHARGE :  4.000000                 *
C*************************************************************
C
C  ***     TOTAL ENERGY         =   -3.291372 A.U.
C
C  ***     ORBITAL ENERGY( 5S ) =    -.5070   A.U.
C  ***     ORBITAL ENERGY( 5P ) =    -.2631   A.U.
C
C         --- VALENCE-SHELL BASIS-SET
C
          ZCORE = IZSAVE -  4.0D+00
          SHINFO='5S/5P'
          NOSH= 2
          CDFCTR(1)='51'
          CDFCTR(2)='41'
             KNG(1)= 6
            KTYP(1)= 1
             KNG(2)= 5
            KTYP(2)= 2
          EX( 1)= 0.32109153D+02
           C( 1)= 0.85698593D-01
          EX( 2)= 0.81988992D+01
           C( 2)=-0.30855358D+00
          EX( 3)= 0.19633887D+01
           C( 3)= 0.27250636D+00
          EX( 4)= 0.10962730D+01
           C( 4)= 0.41210620D+00
          EX( 5)= 0.18538909D+00
           C( 5)=-0.80878553D+00
          EX( 6)= 0.70280150D-01
           C( 6)=-0.39261582D+00
          EX( 7)= 0.13216730D+02
           C( 7)= 0.79061167D-01
          EX( 8)= 0.17521381D+01
           C( 8)=-0.23073848D+00
          EX( 9)= 0.19139767D+00
           C( 9)= 0.58293513D+00
          EX(10)= 0.73527640D-01
           C(10)= 0.42799989D+00
          EX(11)= 0.30454160D-01
           C(11)= 0.11404005D+00
          RETURN
        ELSE
C
C         --- CORE-SHELLS AND MODEL-POTENTIAL
C
          ZCORE = IZSAVE -  4.0D+00
          NOAN0=  3
          NOAN1=  3
C         --- A-PARAMETERS FOR N=0
            AN0( 1)= 0.30788370D+01
          ALPN0( 1)= 0.86594189D+03
            AN0( 2)= 0.52093543D+01
          ALPN0( 2)= 0.89769298D+01
            AN0( 3)= 0.18296640D+01
          ALPN0( 3)= 0.89407892D+00
C         --- A-PARAMETERS FOR N=1
            AN1( 1)= 0.10544070D+03
          ALPN1( 1)= 0.37874406D+04
            AN1( 2)= 0.40455690D+02
          ALPN1( 2)= 0.14991062D+03
            AN1( 3)=-0.35475711D+02
          ALPN1( 3)= 0.34790489D+03
C         --- CORE-SHELL INFORMATION 
          NOSH     =  9
          KTYP( 1) =  1
           KNG( 1) = 13
          BPAR( 1) = 0.12964031D+04
          KTYP( 2) =  1
           KNG( 2) = 13
          BPAR( 2) = 0.19981699D+03
          KTYP( 3) =  1
           KNG( 3) = 13
          BPAR( 3) = 0.40305348D+02
          KTYP( 4) =  1
           KNG( 4) = 13
          BPAR( 4) = 0.70629600D+01
          KTYP( 5) =  2
           KNG( 5) = 10
          BPAR( 5) = 0.17923320D+03
          KTYP( 6) =  2
           KNG( 6) = 10
          BPAR( 6) = 0.33384960D+02
          KTYP( 7) =  2
           KNG( 7) = 10
          BPAR( 7) = 0.48624720D+01
          KTYP( 8) =  3
           KNG( 8) =  7
          BPAR( 8) = 0.22707780D+02
          KTYP( 9) =  3
           KNG( 9) =  7
          BPAR( 9) = 0.15695280D+01
C         --- EXPONENTS AND COEFFICIENTS 
          EX(  1) = 0.72666147D+05
           C(  1) = 0.17739626D-01
          EX(  2) = 0.74585770D+04
           C(  2) = 0.12075150D+00
          EX(  3) = 0.14480480D+04
           C(  3) = 0.43452236D+00
          EX(  4) = 0.37313416D+03
           C(  4) = 0.55203527D+00
          EX(  5) = 0.62062066D+03
           C(  5) =-0.47716997D-02
          EX(  6) = 0.67452495D+02
           C(  6) = 0.32280377D-01
          EX(  7) = 0.28889022D+02
           C(  7) = 0.23494125D-01
          EX(  8) = 0.53962347D+02
           C(  8) = 0.73715573D-02
          EX(  9) = 0.91644520D+01
           C(  9) =-0.24452577D-01
          EX( 10) = 0.40489867D+01
           C( 10) =-0.74979047D-02
          EX( 11) = 0.81160649D+01
           C( 11) = 0.00000000D+00
          EX( 12) = 0.17770423D+01
           C( 12) = 0.00000000D+00
          EX( 13) = 0.76573931D+00
           C( 13) = 0.00000000D+00
          EX( 14) = 0.72666147D+05
           C( 14) = 0.66109217D-02
          EX( 15) = 0.74585770D+04
           C( 15) = 0.44999749D-01
          EX( 16) = 0.14480480D+04
           C( 16) = 0.16193088D+00
          EX( 17) = 0.37313416D+03
           C( 17) = 0.20572373D+00
          EX( 18) = 0.62062066D+03
           C( 18) = 0.95465504D-01
          EX( 19) = 0.67452495D+02
           C( 19) =-0.64582072D+00
          EX( 20) = 0.28889022D+02
           C( 20) =-0.47003765D+00
          EX( 21) = 0.53962347D+02
           C( 21) = 0.50483811D-02
          EX( 22) = 0.91644520D+01
           C( 22) =-0.16746248D-01
          EX( 23) = 0.40489867D+01
           C( 23) =-0.51349096D-02
          EX( 24) = 0.81160649D+01
           C( 24) =-0.13580060D-02
          EX( 25) = 0.17770423D+01
           C( 25) = 0.34807663D-02
          EX( 26) = 0.76573931D+00
           C( 26) = 0.13977290D-02
          EX( 27) = 0.72666147D+05
           C( 27) = 0.29535856D-02
          EX( 28) = 0.74585770D+04
           C( 28) = 0.20104701D-01
          EX( 29) = 0.14480480D+04
           C( 29) = 0.72346449D-01
          EX( 30) = 0.37313416D+03
           C( 30) = 0.91911938D-01
          EX( 31) = 0.62062066D+03
           C( 31) = 0.50254230D-01
          EX( 32) = 0.67452495D+02
           C( 32) =-0.33996807D+00
          EX( 33) = 0.28889022D+02
           C( 33) =-0.24743367D+00
          EX( 34) = 0.53962347D+02
           C( 34) =-0.29598891D+00
          EX( 35) = 0.91644520D+01
           C( 35) = 0.98184022D+00
          EX( 36) = 0.40489867D+01
           C( 36) = 0.30106211D+00
          EX( 37) = 0.81160649D+01
           C( 37) =-0.10220081D-02
          EX( 38) = 0.17770423D+01
           C( 38) = 0.26195548D-02
          EX( 39) = 0.76573931D+00
           C( 39) = 0.10519027D-02
          EX( 40) = 0.72666147D+05
           C( 40) = 0.12872682D-02
          EX( 41) = 0.74585770D+04
           C( 41) = 0.87622795D-02
          EX( 42) = 0.14480480D+04
           C( 42) = 0.31530924D-01
          EX( 43) = 0.37313416D+03
           C( 43) = 0.40058197D-01
          EX( 44) = 0.62062066D+03
           C( 44) = 0.22687243D-01
          EX( 45) = 0.67452495D+02
           C( 45) =-0.15347840D+00
          EX( 46) = 0.28889022D+02
           C( 46) =-0.11170379D+00
          EX( 47) = 0.53962347D+02
           C( 47) =-0.17268774D+00
          EX( 48) = 0.91644520D+01
           C( 48) = 0.57283152D+00
          EX( 49) = 0.40489867D+01
           C( 49) = 0.17564759D+00
          EX( 50) = 0.81160649D+01
           C( 50) = 0.38706362D+00
          EX( 51) = 0.17770423D+01
           C( 51) =-0.99210015D+00
          EX( 52) = 0.76573931D+00
           C( 52) =-0.39838558D+00
          EX( 53) = 0.20417919D+04
           C( 53) = 0.25321956D-01
          EX( 54) = 0.43072747D+03
           C( 54) = 0.17328100D+00
          EX( 55) = 0.13044356D+03
           C( 55) = 0.49365575D+00
          EX( 56) = 0.45581174D+02
           C( 56) = 0.44707309D+00
          EX( 57) = 0.20630081D+02
           C( 57) = 0.22580269D-01
          EX( 58) = 0.85395176D+01
           C( 58) = 0.31891777D-01
          EX( 59) = 0.36612907D+01
           C( 59) = 0.64540504D-02
          EX( 60) = 0.28655412D+01
           C( 60) =-0.10383047D-01
          EX( 61) = 0.12513801D+01
           C( 61) =-0.11164696D-01
          EX( 62) = 0.51735727D+00
           C( 62) =-0.23291528D-02
          EX( 63) = 0.20417919D+04
           C( 63) = 0.12882453D-01
          EX( 64) = 0.43072747D+03
           C( 64) = 0.88156077D-01
          EX( 65) = 0.13044356D+03
           C( 65) = 0.25114558D+00
          EX( 66) = 0.45581174D+02
           C( 66) = 0.22744681D+00
          EX( 67) = 0.20630081D+02
           C( 67) =-0.44186298D+00
          EX( 68) = 0.85395176D+01
           C( 68) =-0.62407563D+00
          EX( 69) = 0.36612907D+01
           C( 69) =-0.12629636D+00
          EX( 70) = 0.28655412D+01
           C( 70) =-0.10678687D-02
          EX( 71) = 0.12513801D+01
           C( 71) =-0.11482591D-02
          EX( 72) = 0.51735727D+00
           C( 72) =-0.23954712D-03
          EX( 73) = 0.20417919D+04
           C( 73) = 0.54833352D-02
          EX( 74) = 0.43072747D+03
           C( 74) = 0.37523079D-01
          EX( 75) = 0.13044356D+03
           C( 75) = 0.10689853D+00
          EX( 76) = 0.45581174D+02
           C( 76) = 0.96811303D-01
          EX( 77) = 0.20630081D+02
           C( 77) =-0.26769745D+00
          EX( 78) = 0.85395176D+01
           C( 78) =-0.37808883D+00
          EX( 79) = 0.36612907D+01
           C( 79) =-0.76515158D-01
          EX( 80) = 0.28655412D+01
           C( 80) = 0.55024438D+00
          EX( 81) = 0.12513801D+01
           C( 81) = 0.59166744D+00
          EX( 82) = 0.51735727D+00
           C( 82) = 0.12343228D+00
          EX( 83) = 0.19300103D+03
           C( 83) = 0.47968292D-01
          EX( 84) = 0.52606049D+02
           C( 84) = 0.26621393D+00
          EX( 85) = 0.18044522D+02
           C( 85) = 0.54597165D+00
          EX( 86) = 0.65702930D+01
           C( 86) = 0.35299130D+00
          EX( 87) = 0.45388163D+01
           C( 87) = 0.67427460D-02
          EX( 88) = 0.15502959D+01
           C( 88) = 0.13527119D-01
          EX( 89) = 0.50023909D+00
           C( 89) = 0.72742154D-02
          EX( 90) = 0.19300103D+03
           C( 90) = 0.17767383D-01
          EX( 91) = 0.52606049D+02
           C( 91) = 0.98605239D-01
          EX( 92) = 0.18044522D+02
           C( 92) = 0.20222708D+00
          EX( 93) = 0.65702930D+01
           C( 93) = 0.13074745D+00
          EX( 94) = 0.45388163D+01
           C( 94) =-0.31126521D+00
          EX( 95) = 0.15502959D+01
           C( 95) =-0.62445201D+00
          EX( 96) = 0.50023909D+00
           C( 96) =-0.33579942D+00
          RETURN
          END IF
        END IF
        IERR=2
        RETURN
      END IF
C
C     --- 
C
      IF(IZSAVE.EQ.51) THEN
        ITYP(1)=121
        ITYP(2)=122
C ---
        IF (MMPTYP.EQ.122) THEN
          IF (MMPMOD.EQ.0) THEN
C
C*************************************************************
C     TITLE : SB/QR             CONFIGURATION : S02P03D10    *
C   VALENCE : (5S/5P/4D)        BASIS SET     : ( 8/ 7/ 6)   *
C          EFFECTIVE CORE CHARGE : 15.000000                 *
C*************************************************************
C
C  ***     TOTAL ENERGY         =   -81.92105094 A.U.
C
C  ***     ORBITAL ENERGY( 5S ) =  -.619667 A.U. <REFERENCE =  -.619660>
C  ***     ORBITAL ENERGY( 5P ) =  -.334017 A.U. <REFERENCE =  -.333153>
C  ***     ORBITAL ENERGY( 4D ) = -1.615658 A.U. <REFERENCE = -1.615814>
C
C  ***     ORBITAL ENERGY DEV. =    .00103     DENSITY DEV. =    .01250
C
C         --- VALENCE-SHELL BASIS-SET
C
          ZCORE = IZSAVE - 15.0D+00
          SHINFO='5S/5P/4D'
          NOSH= 3
          CDFCTR(1)='71'
          CDFCTR(2)='61'
          CDFCTR(3)='6'
             KNG(1)= 8
            KTYP(1)= 1
             KNG(2)= 7
            KTYP(2)= 2
             KNG(3)= 6
            KTYP(3)= 3
          EX( 1)= 0.12587375D+04
           C( 1)= 0.23832446D-01
          EX( 2)= 0.49045619D+02
           C( 2)=-0.13130692D+00
          EX( 3)= 0.91684677D+01
           C( 3)= 0.36260707D+00
          EX( 4)= 0.19280137D+01
           C( 4)=-0.29713332D+00
          EX( 5)= 0.12066063D+01
           C( 5)=-0.47862478D+00
          EX( 6)= 0.24157015D+00
           C( 6)= 0.62304319D+00
          EX( 7)= 0.12829595D+00
           C( 7)= 0.40686940D+00
          EX( 8)= 0.66369731D-01
           C( 8)= 0.19893633D+00
          EX( 9)= 0.17996267D+03
           C( 9)=-0.38693012D-01
          EX(10)= 0.12166238D+02
           C(10)= 0.13944340D+00
          EX(11)= 0.25284294D+01
           C(11)=-0.22038014D+00
          EX(12)= 0.10654322D+01
           C(12)=-0.18820297D+00
          EX(13)= 0.36883838D+00
           C(13)= 0.30099921D+00
          EX(14)= 0.14853006D+00
           C(14)= 0.60596821D+00
          EX(15)= 0.57484537D-01
           C(15)= 0.27025785D+00
          EX(16)= 0.19491964D+03
           C(16)=-0.21978119D-01
          EX(17)= 0.53288184D+02
           C(17)=-0.12104670D+00
          EX(18)= 0.18442678D+02
           C(18)=-0.20157712D+00
          EX(19)= 0.29154395D+01
           C(19)= 0.45397709D+00
          EX(20)= 0.11557182D+01
           C(20)= 0.51750019D+00
          EX(21)= 0.42230671D+00
           C(21)= 0.17106669D+00
          RETURN
        ELSE
C
C         --- CORE-SHELLS AND MODEL-POTENTIAL
C
          ZCORE = IZSAVE - 15.0D+00
          NOAN0=  3
          NOAN1=  3
C         --- A-PARAMETERS FOR N=0
            AN0( 1)= 0.19947289D+01
          ALPN0( 1)= 0.26686362D+03
            AN0( 2)= 0.59586817D+00
          ALPN0( 2)= 0.74951678D+01
            AN0( 3)= 0.13529629D+00
          ALPN0( 3)= 0.10559743D+01
C         --- A-PARAMETERS FOR N=1
            AN1( 1)= 0.90048607D+01
          ALPN1( 1)= 0.34154512D+04
            AN1( 2)= 0.78170783D+01
          ALPN1( 2)= 0.45471322D+02
            AN1( 3)= 0.89021012D-01
          ALPN1( 3)= 0.19229779D+01
C         --- CORE-SHELL INFORMATION 
          NOSH     =  8
          KTYP( 1) =  1
           KNG( 1) = 13
          BPAR( 1) = 0.22562691D+04
          KTYP( 2) =  1
           KNG( 2) = 13
          BPAR( 2) = 0.35033645D+03
          KTYP( 3) =  1
           KNG( 3) = 13
          BPAR( 3) = 0.71647083D+02
          KTYP( 4) =  1
           KNG( 4) = 13
          BPAR( 4) = 0.12961197D+02
          KTYP( 5) =  2
           KNG( 5) = 10
          BPAR( 5) = 0.31429937D+03
          KTYP( 6) =  2
           KNG( 6) = 10
          BPAR( 6) = 0.59563495D+02
          KTYP( 7) =  2
           KNG( 7) = 10
          BPAR( 7) = 0.90747358D+01
          KTYP( 8) =  3
           KNG( 8) =  7
          BPAR( 8) = 0.41072321D+02
C         --- EXPONENTS AND COEFFICIENTS 
          EX(  1) = 0.77729520D+05
           C(  1) = 0.17717759D-01
          EX(  2) = 0.78977374D+04
           C(  2) = 0.12016684D+00
          EX(  3) = 0.15235954D+04
           C(  3) = 0.43344525D+00
          EX(  4) = 0.39100890D+03
           C(  4) = 0.55381591D+00
          EX(  5) = 0.65187657D+03
           C(  5) =-0.47897705D-02
          EX(  6) = 0.70854743D+02
           C(  6) = 0.32462806D-01
          EX(  7) = 0.30463308D+02
           C(  7) = 0.23975538D-01
          EX(  8) = 0.56677810D+02
           C(  8) = 0.74227031D-02
          EX(  9) = 0.96421989D+01
           C(  9) =-0.24651805D-01
          EX( 10) = 0.42559942D+01
           C( 10) =-0.74296790D-02
          EX( 11) = 0.86076771D+01
           C( 11) = 0.00000000D+00
          EX( 12) = 0.19041559D+01
           C( 12) = 0.00000000D+00
          EX( 13) = 0.83206643D+00
           C( 13) = 0.00000000D+00
          EX( 14) = 0.77729520D+05
           C( 14) = 0.66251058D-02
          EX( 15) = 0.78977374D+04
           C( 15) = 0.44933339D-01
          EX( 16) = 0.15235954D+04
           C( 16) = 0.16207583D+00
          EX( 17) = 0.39100890D+03
           C( 17) = 0.20708539D+00
          EX( 18) = 0.65187657D+03
           C( 18) = 0.94649650D-01
          EX( 19) = 0.70854743D+02
           C( 19) =-0.64149071D+00
          EX( 20) = 0.30463308D+02
           C( 20) =-0.47377559D+00
          EX( 21) = 0.56677810D+02
           C( 21) = 0.53570002D-02
          EX( 22) = 0.96421989D+01
           C( 22) =-0.17791325D-01
          EX( 23) = 0.42559942D+01
           C( 23) =-0.53620347D-02
          EX( 24) = 0.86076771D+01
           C( 24) =-0.15827686D-02
          EX( 25) = 0.19041559D+01
           C( 25) = 0.40354833D-02
          EX( 26) = 0.83206643D+00
           C( 26) = 0.15819480D-02
          EX( 27) = 0.77729520D+05
           C( 27) = 0.29732338D-02
          EX( 28) = 0.78977374D+04
           C( 28) = 0.20165311D-01
          EX( 29) = 0.15235954D+04
           C( 29) = 0.72736854D-01
          EX( 30) = 0.39100890D+03
           C( 30) = 0.92936369D-01
          EX( 31) = 0.65187657D+03
           C( 31) = 0.50070312D-01
          EX( 32) = 0.70854743D+02
           C( 32) =-0.33935297D+00
          EX( 33) = 0.30463308D+02
           C( 33) =-0.25063053D+00
          EX( 34) = 0.56677810D+02
           C( 34) =-0.29719777D+00
          EX( 35) = 0.96421989D+01
           C( 35) = 0.98703415D+00
          EX( 36) = 0.42559942D+01
           C( 36) = 0.29747709D+00
          EX( 37) = 0.86076771D+01
           C( 37) =-0.94411263D-03
          EX( 38) = 0.19041559D+01
           C( 38) = 0.24071432D-02
          EX( 39) = 0.83206643D+00
           C( 39) = 0.94362317D-03
          EX( 40) = 0.77729520D+05
           C( 40) = 0.13123556D-02
          EX( 41) = 0.78977374D+04
           C( 41) = 0.89007663D-02
          EX( 42) = 0.15235954D+04
           C( 42) = 0.32105318D-01
          EX( 43) = 0.39100890D+03
           C( 43) = 0.41021183D-01
          EX( 44) = 0.65187657D+03
           C( 44) = 0.22903145D-01
          EX( 45) = 0.70854743D+02
           C( 45) =-0.15522672D+00
          EX( 46) = 0.30463308D+02
           C( 46) =-0.11464333D+00
          EX( 47) = 0.56677810D+02
           C( 47) =-0.17624950D+00
          EX( 48) = 0.96421989D+01
           C( 48) = 0.58534852D+00
          EX( 49) = 0.42559942D+01
           C( 49) = 0.17641514D+00
          EX( 50) = 0.86076771D+01
           C( 50) = 0.39444394D+00
          EX( 51) = 0.19041559D+01
           C( 51) =-0.10056883D+01
          EX( 52) = 0.83206643D+00
           C( 52) =-0.39423945D+00
          EX( 53) = 0.21401554D+04
           C( 53) = 0.25331082D-01
          EX( 54) = 0.45063383D+03
           C( 54) = 0.17332189D+00
          EX( 55) = 0.13634882D+03
           C( 55) = 0.49409436D+00
          EX( 56) = 0.47589592D+02
           C( 56) = 0.44775718D+00
          EX( 57) = 0.21680462D+02
           C( 57) = 0.21738607D-01
          EX( 58) = 0.89841655D+01
           C( 58) = 0.30463584D-01
          EX( 59) = 0.38463850D+01
           C( 59) = 0.60391356D-02
          EX( 60) = 0.30677905D+01
           C( 60) =-0.93744885D-02
          EX( 61) = 0.13521454D+01
           C( 61) =-0.99723702D-02
          EX( 62) = 0.56506124D+00
           C( 62) =-0.19586573D-02
          EX( 63) = 0.21401554D+04
           C( 63) = 0.12966127D-01
          EX( 64) = 0.45063383D+03
           C( 64) = 0.88717633D-01
          EX( 65) = 0.13634882D+03
           C( 65) = 0.25291024D+00
          EX( 66) = 0.47589592D+02
           C( 66) = 0.22919181D+00
          EX( 67) = 0.21680462D+02
           C( 67) =-0.44565546D+00
          EX( 68) = 0.89841655D+01
           C( 68) =-0.62452312D+00
          EX( 69) = 0.38463850D+01
           C( 69) =-0.12380617D+00
          EX( 70) = 0.30677905D+01
           C( 70) =-0.98624745D-03
          EX( 71) = 0.13521454D+01
           C( 71) =-0.10491479D-02
          EX( 72) = 0.56506124D+00
           C( 72) =-0.20606146D-03
          EX( 73) = 0.21401554D+04
           C( 73) = 0.56150183D-02
          EX( 74) = 0.45063383D+03
           C( 74) = 0.38419425D-01
          EX( 75) = 0.13634882D+03
           C( 75) = 0.10952351D+00
          EX( 76) = 0.47589592D+02
           C( 76) = 0.99252167D-01
          EX( 77) = 0.21680462D+02
           C( 77) =-0.27581032D+00
          EX( 78) = 0.89841655D+01
           C( 78) =-0.38650916D+00
          EX( 79) = 0.38463850D+01
           C( 79) =-0.76622018D-01
          EX( 80) = 0.30677905D+01
           C( 80) = 0.55861072D+00
          EX( 81) = 0.13521454D+01
           C( 81) = 0.59423752D+00
          EX( 82) = 0.56506124D+00
           C( 82) = 0.11671324D+00
          EX( 83) = 0.18803386D+03
           C( 83) = 0.55164193D-01
          EX( 84) = 0.51035331D+02
           C( 84) = 0.29549080D+00
          EX( 85) = 0.17346972D+02
           C( 85) = 0.56657157D+00
          EX( 86) = 0.61663228D+01
           C( 86) = 0.31059559D+00
          EX( 87) = 0.50277245D+01
           C( 87) = 0.77675434D-03
          EX( 88) = 0.17791287D+01
           C( 88) = 0.16174999D-02
          EX( 89) = 0.58813182D+00
           C( 89) = 0.86728094D-03
          RETURN
          END IF
C ---
        ELSE IF (MMPTYP.EQ.121) THEN
          IF (MMPMOD.EQ.0) THEN
C
C*************************************************************
C     TITLE : SB/QR             CONFIGURATION : S02P03       *
C   VALENCE : (5S/5P)           BASIS SET     : ( 6/ 5)      *
C          EFFECTIVE CORE CHARGE :  5.000000                 *
C*************************************************************
C
C  ***     TOTAL ENERGY         =   -5.371184 A.U.
C
C  ***     ORBITAL ENERGY( 5S ) =    -.6195   A.U.
C  ***     ORBITAL ENERGY( 5P ) =    -.3322   A.U.
C
C         --- VALENCE-SHELL BASIS-SET
C
          ZCORE = IZSAVE -  5.0D+00
          SHINFO='5S/5P'
          NOSH= 2
          CDFCTR(1)='51'
          CDFCTR(2)='41'
             KNG(1)= 6
            KTYP(1)= 1
             KNG(2)= 5
            KTYP(2)= 2
          EX( 1)= 0.33592280D+02
           C( 1)= 0.12742341D+00
          EX( 2)= 0.86844900D+01
           C( 2)=-0.46958984D+00
          EX( 3)= 0.20996300D+01
           C( 3)= 0.52479035D+00
          EX( 4)= 0.12153200D+01
           C( 4)= 0.34533261D+00
          EX( 5)= 0.21752700D+00
           C( 5)=-0.78825233D+00
          EX( 6)= 0.83972000D-01
           C( 6)=-0.40271406D+00
          EX( 7)= 0.13897924D+02
           C( 7)= 0.13463670D+00
          EX( 8)= 0.19071172D+01
           C( 8)=-0.28878326D+00
          EX( 9)= 0.22588897D+00
           C( 9)= 0.62673691D+00
          EX(10)= 0.87868900D-01
           C(10)= 0.40523335D+00
          EX(11)= 0.36021800D-01
           C(11)= 0.88687700D-01
          RETURN
        ELSE
C
C         --- CORE-SHELLS AND MODEL-POTENTIAL
C
          ZCORE = IZSAVE -  5.0D+00
          NOAN0=  3
          NOAN1=  3
C         --- A-PARAMETERS FOR N=0
            AN0( 1)= 0.32399500D+01
          ALPN0( 1)= 0.47050921D+03
            AN0( 2)= 0.33863882D+01
          ALPN0( 2)= 0.91051124D+01
            AN0( 3)= 0.18722028D+01
          ALPN0( 3)= 0.13068365D+01
C         --- A-PARAMETERS FOR N=1
            AN1( 1)= 0.10534183D+03
          ALPN1( 1)= 0.24672577D+04
            AN1( 2)= 0.26045448D+02
          ALPN1( 2)= 0.26053597D+03
            AN1( 3)=-0.18041191D+02
          ALPN1( 3)= 0.18379010D+03
C         --- CORE-SHELL INFORMATION 
          NOSH     =  9
          KTYP( 1) =  1
           KNG( 1) = 13
          BPAR( 1) = 0.11281347D+04
          KTYP( 2) =  1
           KNG( 2) = 13
          BPAR( 2) = 0.17516831D+03
          KTYP( 3) =  1
           KNG( 3) = 13
          BPAR( 3) = 0.35823560D+02
          KTYP( 4) =  1
           KNG( 4) = 13
          BPAR( 4) = 0.64805800D+01
          KTYP( 5) =  2
           KNG( 5) = 10
          BPAR( 5) = 0.15714980D+03
          KTYP( 6) =  2
           KNG( 6) = 10
          BPAR( 6) = 0.29781810D+02
          KTYP( 7) =  2
           KNG( 7) = 10
          BPAR( 7) = 0.45373500D+01
          KTYP( 8) =  3
           KNG( 8) =  7
          BPAR( 8) = 0.20536300D+02
          KTYP( 9) =  3
           KNG( 9) =  7
          BPAR( 9) = 0.16158100D+01
C         --- EXPONENTS AND COEFFICIENTS 
          EX(  1) = 0.77729520D+05
           C(  1) = 0.17717759D-01
          EX(  2) = 0.78977374D+04
           C(  2) = 0.12016684D+00
          EX(  3) = 0.15235954D+04
           C(  3) = 0.43344525D+00
          EX(  4) = 0.39100890D+03
           C(  4) = 0.55381591D+00
          EX(  5) = 0.65187657D+03
           C(  5) =-0.47897705D-02
          EX(  6) = 0.70854743D+02
           C(  6) = 0.32462806D-01
          EX(  7) = 0.30463308D+02
           C(  7) = 0.23975538D-01
          EX(  8) = 0.56677810D+02
           C(  8) = 0.74227031D-02
          EX(  9) = 0.96421989D+01
           C(  9) =-0.24651805D-01
          EX( 10) = 0.42559942D+01
           C( 10) =-0.74296790D-02
          EX( 11) = 0.86076771D+01
           C( 11) = 0.00000000D+00
          EX( 12) = 0.19041559D+01
           C( 12) = 0.00000000D+00
          EX( 13) = 0.83206643D+00
           C( 13) = 0.00000000D+00
          EX( 14) = 0.77729520D+05
           C( 14) = 0.66251058D-02
          EX( 15) = 0.78977374D+04
           C( 15) = 0.44933339D-01
          EX( 16) = 0.15235954D+04
           C( 16) = 0.16207583D+00
          EX( 17) = 0.39100890D+03
           C( 17) = 0.20708539D+00
          EX( 18) = 0.65187657D+03
           C( 18) = 0.94649650D-01
          EX( 19) = 0.70854743D+02
           C( 19) =-0.64149071D+00
          EX( 20) = 0.30463308D+02
           C( 20) =-0.47377559D+00
          EX( 21) = 0.56677810D+02
           C( 21) = 0.53570002D-02
          EX( 22) = 0.96421989D+01
           C( 22) =-0.17791325D-01
          EX( 23) = 0.42559942D+01
           C( 23) =-0.53620347D-02
          EX( 24) = 0.86076771D+01
           C( 24) =-0.15827686D-02
          EX( 25) = 0.19041559D+01
           C( 25) = 0.40354833D-02
          EX( 26) = 0.83206643D+00
           C( 26) = 0.15819480D-02
          EX( 27) = 0.77729520D+05
           C( 27) = 0.29732338D-02
          EX( 28) = 0.78977374D+04
           C( 28) = 0.20165311D-01
          EX( 29) = 0.15235954D+04
           C( 29) = 0.72736854D-01
          EX( 30) = 0.39100890D+03
           C( 30) = 0.92936369D-01
          EX( 31) = 0.65187657D+03
           C( 31) = 0.50070312D-01
          EX( 32) = 0.70854743D+02
           C( 32) =-0.33935297D+00
          EX( 33) = 0.30463308D+02
           C( 33) =-0.25063053D+00
          EX( 34) = 0.56677810D+02
           C( 34) =-0.29719777D+00
          EX( 35) = 0.96421989D+01
           C( 35) = 0.98703415D+00
          EX( 36) = 0.42559942D+01
           C( 36) = 0.29747709D+00
          EX( 37) = 0.86076771D+01
           C( 37) =-0.94411263D-03
          EX( 38) = 0.19041559D+01
           C( 38) = 0.24071432D-02
          EX( 39) = 0.83206643D+00
           C( 39) = 0.94362317D-03
          EX( 40) = 0.77729520D+05
           C( 40) = 0.13123556D-02
          EX( 41) = 0.78977374D+04
           C( 41) = 0.89007663D-02
          EX( 42) = 0.15235954D+04
           C( 42) = 0.32105318D-01
          EX( 43) = 0.39100890D+03
           C( 43) = 0.41021183D-01
          EX( 44) = 0.65187657D+03
           C( 44) = 0.22903145D-01
          EX( 45) = 0.70854743D+02
           C( 45) =-0.15522672D+00
          EX( 46) = 0.30463308D+02
           C( 46) =-0.11464333D+00
          EX( 47) = 0.56677810D+02
           C( 47) =-0.17624950D+00
          EX( 48) = 0.96421989D+01
           C( 48) = 0.58534852D+00
          EX( 49) = 0.42559942D+01
           C( 49) = 0.17641514D+00
          EX( 50) = 0.86076771D+01
           C( 50) = 0.39444394D+00
          EX( 51) = 0.19041559D+01
           C( 51) =-0.10056883D+01
          EX( 52) = 0.83206643D+00
           C( 52) =-0.39423945D+00
          EX( 53) = 0.21401554D+04
           C( 53) = 0.25331082D-01
          EX( 54) = 0.45063383D+03
           C( 54) = 0.17332189D+00
          EX( 55) = 0.13634882D+03
           C( 55) = 0.49409436D+00
          EX( 56) = 0.47589592D+02
           C( 56) = 0.44775718D+00
          EX( 57) = 0.21680462D+02
           C( 57) = 0.21738607D-01
          EX( 58) = 0.89841655D+01
           C( 58) = 0.30463584D-01
          EX( 59) = 0.38463850D+01
           C( 59) = 0.60391356D-02
          EX( 60) = 0.30677905D+01
           C( 60) =-0.93744885D-02
          EX( 61) = 0.13521454D+01
           C( 61) =-0.99723701D-02
          EX( 62) = 0.56506124D+00
           C( 62) =-0.19586573D-02
          EX( 63) = 0.21401554D+04
           C( 63) = 0.12966127D-01
          EX( 64) = 0.45063383D+03
           C( 64) = 0.88717633D-01
          EX( 65) = 0.13634882D+03
           C( 65) = 0.25291024D+00
          EX( 66) = 0.47589592D+02
           C( 66) = 0.22919181D+00
          EX( 67) = 0.21680462D+02
           C( 67) =-0.44565546D+00
          EX( 68) = 0.89841655D+01
           C( 68) =-0.62452312D+00
          EX( 69) = 0.38463850D+01
           C( 69) =-0.12380617D+00
          EX( 70) = 0.30677905D+01
           C( 70) =-0.98624745D-03
          EX( 71) = 0.13521454D+01
           C( 71) =-0.10491479D-02
          EX( 72) = 0.56506124D+00
           C( 72) =-0.20606146D-03
          EX( 73) = 0.21401554D+04
           C( 73) = 0.56150183D-02
          EX( 74) = 0.45063383D+03
           C( 74) = 0.38419425D-01
          EX( 75) = 0.13634882D+03
           C( 75) = 0.10952351D+00
          EX( 76) = 0.47589592D+02
           C( 76) = 0.99252167D-01
          EX( 77) = 0.21680462D+02
           C( 77) =-0.27581032D+00
          EX( 78) = 0.89841655D+01
           C( 78) =-0.38650916D+00
          EX( 79) = 0.38463850D+01
           C( 79) =-0.76622018D-01
          EX( 80) = 0.30677905D+01
           C( 80) = 0.55861072D+00
          EX( 81) = 0.13521454D+01
           C( 81) = 0.59423752D+00
          EX( 82) = 0.56506124D+00
           C( 82) = 0.11671324D+00
          EX( 83) = 0.18803386D+03
           C( 83) = 0.55164193D-01
          EX( 84) = 0.51035331D+02
           C( 84) = 0.29549080D+00
          EX( 85) = 0.17346972D+02
           C( 85) = 0.56657157D+00
          EX( 86) = 0.61663228D+01
           C( 86) = 0.31059559D+00
          EX( 87) = 0.50277245D+01
           C( 87) = 0.77675434D-03
          EX( 88) = 0.17791287D+01
           C( 88) = 0.16174999D-02
          EX( 89) = 0.58813182D+00
           C( 89) = 0.86728094D-03
          EX( 90) = 0.18803386D+03
           C( 90) = 0.21294769D-01
          EX( 91) = 0.51035331D+02
           C( 91) = 0.11406690D+00
          EX( 92) = 0.17346972D+02
           C( 92) = 0.21871090D+00
          EX( 93) = 0.61663228D+01
           C( 93) = 0.11989773D+00
          EX( 94) = 0.50277245D+01
           C( 94) =-0.30347549D+00
          EX( 95) = 0.17791287D+01
           C( 95) =-0.63195218D+00
          EX( 96) = 0.58813182D+00
           C( 96) =-0.33884395D+00
          RETURN
          END IF
        END IF
        IERR=2
        RETURN
      END IF
C
C     --- 
C
      IF(IZSAVE.EQ.52) THEN
        ITYP(1)=121
        ITYP(2)=122
C ---
        IF (MMPTYP.EQ.122) THEN
          IF (MMPMOD.EQ.0) THEN
C
C*************************************************************
C     TITLE : TE/QR             CONFIGURATION : S02P04D10    *
C   VALENCE : (5S/5P/4D)        BASIS SET     : ( 8/ 7/ 6)   *
C          EFFECTIVE CORE CHARGE : 16.000000                 *
C*************************************************************
C
C  ***     TOTAL ENERGY         =   -95.63422812 A.U.
C
C  ***     ORBITAL ENERGY( 5S ) =  -.747018 A.U. <REFERENCE =  -.747029>
C  ***     ORBITAL ENERGY( 5P ) =  -.359288 A.U. <REFERENCE =  -.358513>
C  ***     ORBITAL ENERGY( 4D ) = -1.954902 A.U. <REFERENCE = -1.954873>
C
C  ***     ORBITAL ENERGY DEV. =    .00082     DENSITY DEV. =    .00787
C
C         --- VALENCE-SHELL BASIS-SET
C
          ZCORE = IZSAVE - 16.0D+00
          SHINFO='5S/5P/4D'
          NOSH= 3
          CDFCTR(1)='71'
          CDFCTR(2)='61'
          CDFCTR(3)='6'
             KNG(1)= 8
            KTYP(1)= 1
             KNG(2)= 7
            KTYP(2)= 2
             KNG(3)= 6
            KTYP(3)= 3
          EX( 1)= 0.13232457D+04
           C( 1)= 0.26629071D-01
          EX( 2)= 0.51260407D+02
           C( 2)=-0.14145950D+00
          EX( 3)= 0.97239304D+01
           C( 3)= 0.38570194D+00
          EX( 4)= 0.20577176D+01
           C( 4)=-0.27088568D+00
          EX( 5)= 0.13628760D+01
           C( 5)=-0.55729252D+00
          EX( 6)= 0.27897870D+00
           C( 6)= 0.62470779D+00
          EX( 7)= 0.16216557D+00
           C( 7)= 0.37979546D+00
          EX( 8)= 0.81754782D-01
           C( 8)= 0.24291230D+00
          EX( 9)= 0.18874545D+03
           C( 9)=-0.42303199D-01
          EX(10)= 0.12752498D+02
           C(10)= 0.15064694D+00
          EX(11)= 0.28947994D+01
           C(11)=-0.20194648D+00
          EX(12)= 0.13772847D+01
           C(12)=-0.22139041D+00
          EX(13)= 0.36694708D+00
           C(13)= 0.37607443D+00
          EX(14)= 0.15634930D+00
           C(14)= 0.55404176D+00
          EX(15)= 0.61698323D-01
           C(15)= 0.23586797D+00
          EX(16)= 0.20581944D+03
           C(16)=-0.21432090D-01
          EX(17)= 0.56336984D+02
           C(17)=-0.10716096D+00
          EX(18)= 0.19565327D+02
           C(18)=-0.19519243D+00
          EX(19)= 0.31508055D+01
           C(19)= 0.45564854D+00
          EX(20)= 0.12744072D+01
           C(20)= 0.53072132D+00
          EX(21)= 0.47585742D+00
           C(21)= 0.14959138D+00
          RETURN
        ELSE
C
C         --- CORE-SHELLS AND MODEL-POTENTIAL
C
          ZCORE = IZSAVE - 16.0D+00
          NOAN0=  3
          NOAN1=  3
C         --- A-PARAMETERS FOR N=0
            AN0( 1)= 0.21440766D+01
          ALPN0( 1)= 0.24296536D+03
            AN0( 2)= 0.25926969D+00
          ALPN0( 2)= 0.20631129D+01
            AN0( 3)= 0.53632304D-01
          ALPN0( 3)= 0.90807428D+00
C         --- A-PARAMETERS FOR N=1
            AN1( 1)= 0.27675899D+02
          ALPN1( 1)= 0.32689747D+04
            AN1( 2)= 0.10966273D+02
          ALPN1( 2)= 0.42556961D+02
            AN1( 3)= 0.35299414D-01
          ALPN1( 3)= 0.37507023D+01
C         --- CORE-SHELL INFORMATION 
          NOSH     =  8
          KTYP( 1) =  1
           KNG( 1) = 13
          BPAR( 1) = 0.23542536D+04
          KTYP( 2) =  1
           KNG( 2) = 13
          BPAR( 2) = 0.36820357D+03
          KTYP( 3) =  1
           KNG( 3) = 13
          BPAR( 3) = 0.76313443D+02
          KTYP( 4) =  1
           KNG( 4) = 13
          BPAR( 4) = 0.14226984D+02
          KTYP( 5) =  2
           KNG( 5) = 10
          BPAR( 5) = 0.33034971D+03
          KTYP( 6) =  2
           KNG( 6) = 10
          BPAR( 6) = 0.63658553D+02
          KTYP( 7) =  2
           KNG( 7) = 10
          BPAR( 7) = 0.10113025D+02
          KTYP( 8) =  3
           KNG( 8) =  7
          BPAR( 8) = 0.44456501D+02
C         --- EXPONENTS AND COEFFICIENTS 
          EX(  1) = 0.83104344D+05
           C(  1) = 0.17701001D-01
          EX(  2) = 0.83583947D+04
           C(  2) = 0.11959384D+00
          EX(  3) = 0.16021011D+04
           C(  3) = 0.43236209D+00
          EX(  4) = 0.40945728D+03
           C(  4) = 0.55559284D+00
          EX(  5) = 0.68458194D+03
           C(  5) =-0.48053844D-02
          EX(  6) = 0.74279845D+02
           C(  6) = 0.32752559D-01
          EX(  7) = 0.31972290D+02
           C(  7) = 0.24389016D-01
          EX(  8) = 0.59470335D+02
           C(  8) = 0.74893540D-02
          EX(  9) = 0.10137915D+02
           C(  9) =-0.24892551D-01
          EX( 10) = 0.44681132D+01
           C( 10) =-0.73801207D-02
          EX( 11) = 0.91155730D+01
           C( 11) = 0.00000000D+00
          EX( 12) = 0.20357946D+01
           C( 12) = 0.00000000D+00
          EX( 13) = 0.89983241D+00
           C( 13) = 0.00000000D+00
          EX( 14) = 0.83104344D+05
           C( 14) = 0.66408858D-02
          EX( 15) = 0.83583947D+04
           C( 15) = 0.44868027D-01
          EX( 16) = 0.16021011D+04
           C( 16) = 0.16220931D+00
          EX( 17) = 0.40945728D+03
           C( 17) = 0.20844180D+00
          EX( 18) = 0.68458194D+03
           C( 18) = 0.93781918D-01
          EX( 19) = 0.74279845D+02
           C( 19) =-0.63919919D+00
          EX( 20) = 0.31972290D+02
           C( 20) =-0.47597623D+00
          EX( 21) = 0.59470335D+02
           C( 21) = 0.54267526D-02
          EX( 22) = 0.10137915D+02
           C( 22) =-0.18037032D-01
          EX( 23) = 0.44681132D+01
           C( 23) =-0.53476028D-02
          EX( 24) = 0.91155730D+01
           C( 24) =-0.15978239D-02
          EX( 25) = 0.20357946D+01
           C( 25) = 0.40593839D-02
          EX( 26) = 0.89983241D+00
           C( 26) = 0.15458402D-02
          EX( 27) = 0.83104344D+05
           C( 27) = 0.29931535D-02
          EX( 28) = 0.83583947D+04
           C( 28) = 0.20222738D-01
          EX( 29) = 0.16021011D+04
           C( 29) = 0.73110334D-01
          EX( 30) = 0.40945728D+03
           C( 30) = 0.93948054D-01
          EX( 31) = 0.68458194D+03
           C( 31) = 0.49842101D-01
          EX( 32) = 0.74279845D+02
           C( 32) =-0.33971400D+00
          EX( 33) = 0.31972290D+02
           C( 33) =-0.25296620D+00
          EX( 34) = 0.59470335D+02
           C( 34) =-0.29856896D+00
          EX( 35) = 0.10137915D+02
           C( 35) = 0.99236100D+00
          EX( 36) = 0.44681132D+01
           C( 36) = 0.29421429D+00
          EX( 37) = 0.91155730D+01
           C( 37) =-0.84392246D-03
          EX( 38) = 0.20357946D+01
           C( 38) = 0.21440444D-02
          EX( 39) = 0.89983241D+00
           C( 39) = 0.81646623D-03
          EX( 40) = 0.83104344D+05
           C( 40) = 0.13372465D-02
          EX( 41) = 0.83583947D+04
           C( 41) = 0.90348812D-02
          EX( 42) = 0.16021011D+04
           C( 42) = 0.32663390D-01
          EX( 43) = 0.40945728D+03
           C( 43) = 0.41973027D-01
          EX( 44) = 0.68458194D+03
           C( 44) = 0.23086358D-01
          EX( 45) = 0.74279845D+02
           C( 45) =-0.15735210D+00
          EX( 46) = 0.31972290D+02
           C( 46) =-0.11717139D+00
          EX( 47) = 0.59470335D+02
           C( 47) =-0.17983894D+00
          EX( 48) = 0.10137915D+02
           C( 48) = 0.59773511D+00
          EX( 49) = 0.44681132D+01
           C( 49) = 0.17721596D+00
          EX( 50) = 0.91155730D+01
           C( 50) = 0.40177390D+00
          EX( 51) = 0.20357946D+01
           C( 51) =-0.10207349D+01
          EX( 52) = 0.89983241D+00
           C( 52) =-0.38870256D+00
          EX( 53) = 0.22429197D+04
           C( 53) = 0.25319634D-01
          EX( 54) = 0.47136795D+03
           C( 54) = 0.17323691D+00
          EX( 55) = 0.14249065D+03
           C( 55) = 0.49434436D+00
          EX( 56) = 0.49680558D+02
           C( 56) = 0.44856015D+00
          EX( 57) = 0.22759511D+02
           C( 57) = 0.21046778D-01
          EX( 58) = 0.94406463D+01
           C( 58) = 0.29278096D-01
          EX( 59) = 0.40345807D+01
           C( 59) = 0.56897171D-02
          EX( 60) = 0.32764798D+01
           C( 60) =-0.85480375D-02
          EX( 61) = 0.14562253D+01
           C( 61) =-0.89812095D-02
          EX( 62) = 0.61299794D+00
           C( 62) =-0.16585616D-02
          EX( 63) = 0.22429197D+04
           C( 63) = 0.13035955D-01
          EX( 64) = 0.47136795D+03
           C( 64) = 0.89191988D-01
          EX( 65) = 0.14249065D+03
           C( 65) = 0.25451596D+00
          EX( 66) = 0.49680558D+02
           C( 66) = 0.23094370D+00
          EX( 67) = 0.22759511D+02
           C( 67) =-0.44925702D+00
          EX( 68) = 0.94406463D+01
           C( 68) =-0.62495981D+00
          EX( 69) = 0.40345807D+01
           C( 69) =-0.12145067D+00
          EX( 70) = 0.32764798D+01
           C( 70) =-0.86888380D-03
          EX( 71) = 0.14562253D+01
           C( 71) =-0.91291452D-03
          EX( 72) = 0.61299794D+00
           C( 72) =-0.16858809D-03
          EX( 73) = 0.22429197D+04
           C( 73) = 0.57380066D-02
          EX( 74) = 0.47136795D+03
           C( 74) = 0.39259435D-01
          EX( 75) = 0.14249065D+03
           C( 75) = 0.11202971D+00
          EX( 76) = 0.49680558D+02
           C( 76) = 0.10165396D+00
          EX( 77) = 0.22759511D+02
           C( 77) =-0.28373511D+00
          EX( 78) = 0.94406463D+01
           C( 78) =-0.39470288D+00
          EX( 79) = 0.40345807D+01
           C( 79) =-0.76704021D-01
          EX( 80) = 0.32764798D+01
           C( 80) = 0.56759470D+00
          EX( 81) = 0.14562253D+01
           C( 81) = 0.59635757D+00
          EX( 82) = 0.61299794D+00
           C( 82) = 0.11012946D+00
          EX( 83) = 0.21771134D+03
           C( 83) = 0.46182248D-01
          EX( 84) = 0.59495789D+02
           C( 84) = 0.26028031D+00
          EX( 85) = 0.20523167D+02
           C( 85) = 0.54393983D+00
          EX( 86) = 0.75450448D+01
           C( 86) = 0.35753817D+00
          EX( 87) = 0.54598588D+01
           C( 87) = 0.70696275D-02
          EX( 88) = 0.19421990D+01
           C( 88) = 0.14654455D-01
          EX( 89) = 0.66172774D+00
           C( 89) = 0.75205858D-02
          RETURN
          END IF
C ---
        ELSE IF (MMPTYP.EQ.121) THEN
          IF (MMPMOD.EQ.0) THEN
C
C*************************************************************
C     TITLE : TE/QR             CONFIGURATION : S02P04       *
C   VALENCE : (5S/5P)           BASIS SET     : ( 6/ 5)      *
C          EFFECTIVE CORE CHARGE :  6.000000                 *
C*************************************************************
C
C  ***     TOTAL ENERGY         =   -7.999194 A.U.
C
C  ***     ORBITAL ENERGY( 5S ) =    -.7470   A.U.
C  ***     ORBITAL ENERGY( 5P ) =    -.3568   A.U.
C
C         --- VALENCE-SHELL BASIS-SET
C
          ZCORE = IZSAVE -  6.0D+00
          SHINFO='5S/5P'
          NOSH= 2
          CDFCTR(1)='51'
          CDFCTR(2)='41'
             KNG(1)= 6
            KTYP(1)= 1
             KNG(2)= 5
            KTYP(2)= 2
          EX( 1)= 0.35085679D+02
           C( 1)= 0.15193855D+00
          EX( 2)= 0.91792527D+01
           C( 2)=-0.55650543D+00
          EX( 3)= 0.22786772D+01
           C( 3)= 0.56005169D+00
          EX( 4)= 0.13573092D+01
           C( 4)= 0.37861355D+00
          EX( 5)= 0.25045711D+00
           C( 5)=-0.80434910D+00
          EX( 6)= 0.97433470D-01
           C( 6)=-0.39767258D+00
          EX( 7)= 0.14581810D+02
           C( 7)= 0.16030459D+00
          EX( 8)= 0.20799480D+01
           C( 8)=-0.32377968D+00
          EX( 9)= 0.26750700D+00
           C( 9)= 0.62026610D+00
          EX(10)= 0.10366700D+00
           C(10)= 0.40898618D+00
          EX(11)= 0.42542000D-01
           C(11)= 0.99002688D-01
          RETURN
        ELSE
C
C         --- CORE-SHELLS AND MODEL-POTENTIAL
C
          ZCORE = IZSAVE -  6.0D+00
          NOAN0=  3
          NOAN1=  3
C         --- A-PARAMETERS FOR N=0
            AN0( 1)= 0.30438725D+01
          ALPN0( 1)= 0.98318936D+03
            AN0( 2)= 0.27727334D+01
          ALPN0( 2)= 0.95816555D+01
            AN0( 3)= 0.16163078D+01
          ALPN0( 3)= 0.15311455D+01
C         --- A-PARAMETERS FOR N=1
            AN1( 1)= 0.19123521D+03
          ALPN1( 1)= 0.20086190D+04
            AN1( 2)= 0.28363247D+02
          ALPN1( 2)= 0.28675947D+03
            AN1( 3)=-0.22418761D+02
          ALPN1( 3)= 0.21813142D+03
C         --- CORE-SHELL INFORMATION 
          NOSH     =  9
          KTYP( 1) =  1
           KNG( 1) = 13
          BPAR( 1) = 0.11771269D+04
          KTYP( 2) =  1
           KNG( 2) = 13
          BPAR( 2) = 0.18410190D+03
          KTYP( 3) =  1
           KNG( 3) = 13
          BPAR( 3) = 0.38156700D+02
          KTYP( 4) =  1
           KNG( 4) = 13
          BPAR( 4) = 0.71135000D+01
          KTYP( 5) =  2
           KNG( 5) = 10
          BPAR( 5) = 0.16517500D+03
          KTYP( 6) =  2
           KNG( 6) = 10
          BPAR( 6) = 0.31829300D+02
          KTYP( 7) =  2
           KNG( 7) = 10
          BPAR( 7) = 0.50565000D+01
          KTYP( 8) =  3
           KNG( 8) =  7
          BPAR( 8) = 0.22228400D+02
          KTYP( 9) =  3
           KNG( 9) =  7
          BPAR( 9) = 0.19548700D+01
C         --- EXPONENTS AND COEFFICIENTS 
          EX(  1) = 0.83104344D+05
           C(  1) = 0.17701001D-01
          EX(  2) = 0.83583947D+04
           C(  2) = 0.11959384D+00
          EX(  3) = 0.16021011D+04
           C(  3) = 0.43236209D+00
          EX(  4) = 0.40945728D+03
           C(  4) = 0.55559284D+00
          EX(  5) = 0.68458194D+03
           C(  5) =-0.48053844D-02
          EX(  6) = 0.74279845D+02
           C(  6) = 0.32752559D-01
          EX(  7) = 0.31972290D+02
           C(  7) = 0.24389016D-01
          EX(  8) = 0.59470335D+02
           C(  8) = 0.74893540D-02
          EX(  9) = 0.10137915D+02
           C(  9) =-0.24892551D-01
          EX( 10) = 0.44681132D+01
           C( 10) =-0.73801207D-02
          EX( 11) = 0.91155730D+01
           C( 11) = 0.00000000D+00
          EX( 12) = 0.20357946D+01
           C( 12) = 0.00000000D+00
          EX( 13) = 0.89983241D+00
           C( 13) = 0.00000000D+00
          EX( 14) = 0.83104344D+05
           C( 14) = 0.66408858D-02
          EX( 15) = 0.83583947D+04
           C( 15) = 0.44868027D-01
          EX( 16) = 0.16021011D+04
           C( 16) = 0.16220931D+00
          EX( 17) = 0.40945728D+03
           C( 17) = 0.20844180D+00
          EX( 18) = 0.68458194D+03
           C( 18) = 0.93781919D-01
          EX( 19) = 0.74279845D+02
           C( 19) =-0.63919919D+00
          EX( 20) = 0.31972290D+02
           C( 20) =-0.47597623D+00
          EX( 21) = 0.59470335D+02
           C( 21) = 0.54267526D-02
          EX( 22) = 0.10137915D+02
           C( 22) =-0.18037032D-01
          EX( 23) = 0.44681132D+01
           C( 23) =-0.53476028D-02
          EX( 24) = 0.91155730D+01
           C( 24) =-0.15978239D-02
          EX( 25) = 0.20357946D+01
           C( 25) = 0.40593839D-02
          EX( 26) = 0.89983241D+00
           C( 26) = 0.15458402D-02
          EX( 27) = 0.83104344D+05
           C( 27) = 0.29931535D-02
          EX( 28) = 0.83583947D+04
           C( 28) = 0.20222738D-01
          EX( 29) = 0.16021011D+04
           C( 29) = 0.73110334D-01
          EX( 30) = 0.40945728D+03
           C( 30) = 0.93948054D-01
          EX( 31) = 0.68458194D+03
           C( 31) = 0.49842101D-01
          EX( 32) = 0.74279845D+02
           C( 32) =-0.33971400D+00
          EX( 33) = 0.31972290D+02
           C( 33) =-0.25296620D+00
          EX( 34) = 0.59470335D+02
           C( 34) =-0.29856896D+00
          EX( 35) = 0.10137915D+02
           C( 35) = 0.99236100D+00
          EX( 36) = 0.44681132D+01
           C( 36) = 0.29421429D+00
          EX( 37) = 0.91155730D+01
           C( 37) =-0.84392246D-03
          EX( 38) = 0.20357946D+01
           C( 38) = 0.21440444D-02
          EX( 39) = 0.89983241D+00
           C( 39) = 0.81646623D-03
          EX( 40) = 0.83104344D+05
           C( 40) = 0.13372465D-02
          EX( 41) = 0.83583947D+04
           C( 41) = 0.90348812D-02
          EX( 42) = 0.16021011D+04
           C( 42) = 0.32663390D-01
          EX( 43) = 0.40945728D+03
           C( 43) = 0.41973027D-01
          EX( 44) = 0.68458194D+03
           C( 44) = 0.23086358D-01
          EX( 45) = 0.74279845D+02
           C( 45) =-0.15735210D+00
          EX( 46) = 0.31972290D+02
           C( 46) =-0.11717139D+00
          EX( 47) = 0.59470335D+02
           C( 47) =-0.17983894D+00
          EX( 48) = 0.10137915D+02
           C( 48) = 0.59773511D+00
          EX( 49) = 0.44681132D+01
           C( 49) = 0.17721596D+00
          EX( 50) = 0.91155730D+01
           C( 50) = 0.40177390D+00
          EX( 51) = 0.20357946D+01
           C( 51) =-0.10207349D+01
          EX( 52) = 0.89983241D+00
           C( 52) =-0.38870256D+00
          EX( 53) = 0.22429197D+04
           C( 53) = 0.25319634D-01
          EX( 54) = 0.47136795D+03
           C( 54) = 0.17323691D+00
          EX( 55) = 0.14249065D+03
           C( 55) = 0.49434436D+00
          EX( 56) = 0.49680558D+02
           C( 56) = 0.44856015D+00
          EX( 57) = 0.22759511D+02
           C( 57) = 0.21046778D-01
          EX( 58) = 0.94406463D+01
           C( 58) = 0.29278096D-01
          EX( 59) = 0.40345807D+01
           C( 59) = 0.56897171D-02
          EX( 60) = 0.32764798D+01
           C( 60) =-0.85480375D-02
          EX( 61) = 0.14562253D+01
           C( 61) =-0.89812096D-02
          EX( 62) = 0.61299794D+00
           C( 62) =-0.16585616D-02
          EX( 63) = 0.22429197D+04
           C( 63) = 0.13035955D-01
          EX( 64) = 0.47136795D+03
           C( 64) = 0.89191988D-01
          EX( 65) = 0.14249065D+03
           C( 65) = 0.25451596D+00
          EX( 66) = 0.49680558D+02
           C( 66) = 0.23094370D+00
          EX( 67) = 0.22759511D+02
           C( 67) =-0.44925702D+00
          EX( 68) = 0.94406463D+01
           C( 68) =-0.62495981D+00
          EX( 69) = 0.40345807D+01
           C( 69) =-0.12145067D+00
          EX( 70) = 0.32764798D+01
           C( 70) =-0.86888380D-03
          EX( 71) = 0.14562253D+01
           C( 71) =-0.91291452D-03
          EX( 72) = 0.61299794D+00
           C( 72) =-0.16858809D-03
          EX( 73) = 0.22429197D+04
           C( 73) = 0.57380066D-02
          EX( 74) = 0.47136795D+03
           C( 74) = 0.39259435D-01
          EX( 75) = 0.14249065D+03
           C( 75) = 0.11202971D+00
          EX( 76) = 0.49680558D+02
           C( 76) = 0.10165396D+00
          EX( 77) = 0.22759511D+02
           C( 77) =-0.28373511D+00
          EX( 78) = 0.94406463D+01
           C( 78) =-0.39470288D+00
          EX( 79) = 0.40345807D+01
           C( 79) =-0.76704021D-01
          EX( 80) = 0.32764798D+01
           C( 80) = 0.56759470D+00
          EX( 81) = 0.14562253D+01
           C( 81) = 0.59635757D+00
          EX( 82) = 0.61299794D+00
           C( 82) = 0.11012946D+00
          EX( 83) = 0.21771134D+03
           C( 83) = 0.46182248D-01
          EX( 84) = 0.59495789D+02
           C( 84) = 0.26028031D+00
          EX( 85) = 0.20523167D+02
           C( 85) = 0.54393983D+00
          EX( 86) = 0.75450448D+01
           C( 86) = 0.35753817D+00
          EX( 87) = 0.54598588D+01
           C( 87) = 0.70696275D-02
          EX( 88) = 0.19421990D+01
           C( 88) = 0.14654455D-01
          EX( 89) = 0.66172774D+00
           C( 89) = 0.75205858D-02
          EX( 90) = 0.21771134D+03
           C( 90) = 0.18469604D-01
          EX( 91) = 0.59495789D+02
           C( 91) = 0.10409354D+00
          EX( 92) = 0.20523167D+02
           C( 92) = 0.21753711D+00
          EX( 93) = 0.75450448D+01
           C( 93) = 0.14298976D+00
          EX( 94) = 0.54598588D+01
           C( 94) =-0.30577648D+00
          EX( 95) = 0.19421990D+01
           C( 95) =-0.63383647D+00
          EX( 96) = 0.66172774D+00
           C( 96) =-0.32528139D+00
          RETURN
          END IF
        END IF
        IERR=2
        RETURN
      END IF
C
C     --- 
C
      IF(IZSAVE.EQ.53) THEN
        ITYP(1)=121
        ITYP(2)=122
C ---
        IF (MMPTYP.EQ.122) THEN
          IF (MMPMOD.EQ.0) THEN
C
C*************************************************************
C     TITLE : I/QR              CONFIGURATION : S02P05D10    *
C   VALENCE : (5S/5P/4D)        BASIS SET     : ( 8/ 7/ 6)   *
C          EFFECTIVE CORE CHARGE : 17.000000                 *
C*************************************************************
C
C  ***     TOTAL ENERGY         =  -111.17161301 A.U.
C
C  ***     ORBITAL ENERGY( 5S ) =  -.876852 A.U. <REFERENCE =  -.876841>
C  ***     ORBITAL ENERGY( 5P ) =  -.402503 A.U. <REFERENCE =  -.402141>
C  ***     ORBITAL ENERGY( 4D ) = -2.305521 A.U. <REFERENCE = -2.305493>
C
C  ***     ORBITAL ENERGY DEV. =    .00040     DENSITY DEV. =    .01078
C
C         --- VALENCE-SHELL BASIS-SET
C
          ZCORE = IZSAVE - 17.0D+00
          SHINFO='5S/5P/4D'
          NOSH= 3
          CDFCTR(1)='71'
          CDFCTR(2)='61'
          CDFCTR(3)='6'
             KNG(1)= 8
            KTYP(1)= 1
             KNG(2)= 7
            KTYP(2)= 2
             KNG(3)= 6
            KTYP(3)= 3
          EX( 1)= 0.13897622D+04
           C( 1)= 0.30266946D-01
          EX( 2)= 0.53569264D+02
           C( 2)=-0.15445075D+00
          EX( 3)= 0.10287005D+02
           C( 3)= 0.41529585D+00
          EX( 4)= 0.20783874D+01
           C( 4)=-0.36754333D+00
          EX( 5)= 0.14562155D+01
           C( 5)=-0.49529839D+00
          EX( 6)= 0.30391787D+00
           C( 6)= 0.72608295D+00
          EX( 7)= 0.14845645D+00
           C( 7)= 0.41055275D+00
          EX( 8)= 0.80426810D-01
           C( 8)= 0.11989774D+00
          EX( 9)= 0.19950456D+03
           C( 9)=-0.41948250D-01
          EX(10)= 0.12128781D+02
           C(10)= 0.21145098D+00
          EX(11)= 0.70624071D+01
           C(11)=-0.99414192D-01
          EX(12)= 0.20679856D+01
           C(12)=-0.35996851D+00
          EX(13)= 0.34258454D+00
           C(13)= 0.49013326D+00
          EX(14)= 0.14589607D+00
           C(14)= 0.49308513D+00
          EX(15)= 0.61711168D-01
           C(15)= 0.15417462D+00
          EX(16)= 0.21716616D+03
           C(16)=-0.21463334D-01
          EX(17)= 0.59511674D+02
           C(17)=-0.12562314D+00
          EX(18)= 0.20732790D+02
           C(18)=-0.20961822D+00
          EX(19)= 0.33904370D+01
           C(19)= 0.47139139D+00
          EX(20)= 0.13944872D+01
           C(20)= 0.51030130D+00
          EX(21)= 0.52917923D+00
           C(21)= 0.14675376D+00
          RETURN
        ELSE
C
C         --- CORE-SHELLS AND MODEL-POTENTIAL
C
          ZCORE = IZSAVE - 17.0D+00
          NOAN0=  3
          NOAN1=  3
C         --- A-PARAMETERS FOR N=0
            AN0( 1)= 0.21539408D+01
          ALPN0( 1)= 0.29046074D+03
            AN0( 2)= 0.22599984D+00
          ALPN0( 2)= 0.22623377D+01
            AN0( 3)= 0.47407286D-01
          ALPN0( 3)= 0.10920178D+01
C         --- A-PARAMETERS FOR N=1
            AN1( 1)= 0.22397922D+02
          ALPN1( 1)= 0.40267481D+04
            AN1( 2)= 0.10832741D+02
          ALPN1( 2)= 0.39946110D+02
            AN1( 3)= 0.18586353D-01
          ALPN1( 3)= 0.35687480D+01
C         --- CORE-SHELL INFORMATION 
          NOSH     =  8
          KTYP( 1) =  1
           KNG( 1) = 13
          BPAR( 1) = 0.24546048D+04
          KTYP( 2) =  1
           KNG( 2) = 13
          BPAR( 2) = 0.38659357D+03
          KTYP( 3) =  1
           KNG( 3) = 13
          BPAR( 3) = 0.81134314D+02
          KTYP( 4) =  1
           KNG( 4) = 13
          BPAR( 4) = 0.15529132D+02
          KTYP( 5) =  2
           KNG( 5) = 10
          BPAR( 5) = 0.34683248D+03
          KTYP( 6) =  2
           KNG( 6) = 10
          BPAR( 6) = 0.67885467D+02
          KTYP( 7) =  2
           KNG( 7) = 10
          BPAR( 7) = 0.11179601D+02
          KTYP( 8) =  3
           KNG( 8) =  7
          BPAR( 8) = 0.47956633D+02
C         --- EXPONENTS AND COEFFICIENTS 
          EX(  1) = 0.88811938D+05
           C(  1) = 0.17688811D-01
          EX(  2) = 0.88418083D+04
           C(  2) = 0.11903028D+00
          EX(  3) = 0.16837001D+04
           C(  3) = 0.43127019D+00
          EX(  4) = 0.42849749D+03
           C(  4) = 0.55737051D+00
          EX(  5) = 0.71856380D+03
           C(  5) =-0.48200670D-02
          EX(  6) = 0.77821646D+02
           C(  6) = 0.33042501D-01
          EX(  7) = 0.33533861D+02
           C(  7) = 0.24817932D-01
          EX(  8) = 0.62353742D+02
           C(  8) = 0.75570205D-02
          EX(  9) = 0.10649158D+02
           C(  9) =-0.25136061D-01
          EX( 10) = 0.46859485D+01
           C( 10) =-0.73393864D-02
          EX( 11) = 0.96405301D+01
           C( 11) = 0.00000000D+00
          EX( 12) = 0.21719254D+01
           C( 12) = 0.00000000D+00
          EX( 13) = 0.96858449D+00
           C( 13) = 0.00000000D+00
          EX( 14) = 0.88811938D+05
           C( 14) = 0.66582907D-02
          EX( 15) = 0.88418083D+04
           C( 15) = 0.44804494D-01
          EX( 16) = 0.16837001D+04
           C( 16) = 0.16233552D+00
          EX( 17) = 0.42849749D+03
           C( 17) = 0.20980126D+00
          EX( 18) = 0.71856380D+03
           C( 18) = 0.92891047D-01
          EX( 19) = 0.77821646D+02
           C( 19) =-0.63678628D+00
          EX( 20) = 0.33533861D+02
           C( 20) =-0.47828456D+00
          EX( 21) = 0.62353742D+02
           C( 21) = 0.54997546D-02
          EX( 22) = 0.10649158D+02
           C( 22) =-0.18293212D-01
          EX( 23) = 0.46859485D+01
           C( 23) =-0.53413676D-02
          EX( 24) = 0.96405301D+01
           C( 24) =-0.16158946D-02
          EX( 25) = 0.21719254D+01
           C( 25) = 0.40967933D-02
          EX( 26) = 0.96858449D+00
           C( 26) = 0.15092374D-02
          EX( 27) = 0.88811938D+05
           C( 27) = 0.30133933D-02
          EX( 28) = 0.88418083D+04
           C( 28) = 0.20277510D-01
          EX( 29) = 0.16837001D+04
           C( 29) = 0.73469419D-01
          EX( 30) = 0.42849749D+03
           C( 30) = 0.94951351D-01
          EX( 31) = 0.71856380D+03
           C( 31) = 0.49588475D-01
          EX( 32) = 0.77821646D+02
           C( 32) =-0.33993868D+00
          EX( 33) = 0.33533861D+02
           C( 33) =-0.25532495D+00
          EX( 34) = 0.62353742D+02
           C( 34) =-0.29985005D+00
          EX( 35) = 0.10649158D+02
           C( 35) = 0.99735732D+00
          EX( 36) = 0.46859485D+01
           C( 36) = 0.29121470D+00
          EX( 37) = 0.96405301D+01
           C( 37) =-0.72682740D-03
          EX( 38) = 0.21719254D+01
           C( 38) = 0.18427324D-02
          EX( 39) = 0.96858449D+00
           C( 39) = 0.67885309D-03
          EX( 40) = 0.88811938D+05
           C( 40) = 0.13618614D-02
          EX( 41) = 0.88418083D+04
           C( 41) = 0.91641405D-02
          EX( 42) = 0.16837001D+04
           C( 42) = 0.33203488D-01
          EX( 43) = 0.42849749D+03
           C( 43) = 0.42911951D-01
          EX( 44) = 0.71856380D+03
           C( 44) = 0.23244585D-01
          EX( 45) = 0.77821646D+02
           C( 45) =-0.15934617D+00
          EX( 46) = 0.33533861D+02
           C( 46) =-0.11968350D+00
          EX( 47) = 0.62353742D+02
           C( 47) =-0.18330397D+00
          EX( 48) = 0.10649158D+02
           C( 48) = 0.60970326D+00
          EX( 49) = 0.46859485D+01
           C( 49) = 0.17802501D+00
          EX( 50) = 0.96405301D+01
           C( 50) = 0.40899631D+00
          EX( 51) = 0.21719254D+01
           C( 51) =-0.10369322D+01
          EX( 52) = 0.96858449D+00
           C( 52) =-0.38200047D+00
          EX( 53) = 0.23499640D+04
           C( 53) = 0.25293892D-01
          EX( 54) = 0.49289604D+03
           C( 54) = 0.17306237D+00
          EX( 55) = 0.14885701D+03
           C( 55) = 0.49445754D+00
          EX( 56) = 0.51849594D+02
           C( 56) = 0.44943005D+00
          EX( 57) = 0.23868244D+02
           C( 57) = 0.20477173D-01
          EX( 58) = 0.99095576D+01
           C( 58) = 0.28290337D-01
          EX( 59) = 0.42268897D+01
           C( 59) = 0.53946902D-02
          EX( 60) = 0.34919196D+01
           C( 60) =-0.78637597D-02
          EX( 61) = 0.15638637D+01
           C( 61) =-0.81507969D-02
          EX( 62) = 0.66124462D+00
           C( 62) =-0.14163813D-02
          EX( 63) = 0.23499640D+04
           C( 63) = 0.13095193D-01
          EX( 64) = 0.49289604D+03
           C( 64) = 0.89598122D-01
          EX( 65) = 0.14885701D+03
           C( 65) = 0.25599134D+00
          EX( 66) = 0.51849594D+02
           C( 66) = 0.23267963D+00
          EX( 67) = 0.23868244D+02
           C( 67) =-0.45266022D+00
          EX( 68) = 0.99095576D+01
           C( 68) =-0.62537487D+00
          EX( 69) = 0.42268897D+01
           C( 69) =-0.11925287D+00
          EX( 70) = 0.34919196D+01
           C( 70) =-0.72155306D-03
          EX( 71) = 0.15638637D+01
           C( 71) =-0.74789066D-03
          EX( 72) = 0.66124462D+00
           C( 72) =-0.12996255D-03
          EX( 73) = 0.23499640D+04
           C( 73) = 0.58532321D-02
          EX( 74) = 0.49289604D+03
           C( 74) = 0.40048175D-01
          EX( 75) = 0.14885701D+03
           C( 75) = 0.11442189D+00
          EX( 76) = 0.51849594D+02
           C( 76) = 0.10400212D+00
          EX( 77) = 0.23868244D+02
           C( 77) =-0.29144102D+00
          EX( 78) = 0.99095576D+01
           C( 78) =-0.40264172D+00
          EX( 79) = 0.42268897D+01
           C( 79) =-0.76779833D-01
          EX( 80) = 0.34919196D+01
           C( 80) = 0.57693149D+00
          EX( 81) = 0.15638637D+01
           C( 81) = 0.59799022D+00
          EX( 82) = 0.66124462D+00
           C( 82) = 0.10391403D+00
          EX( 83) = 0.20962822D+03
           C( 83) = 0.54077330D-01
          EX( 84) = 0.57015838D+02
           C( 84) = 0.29283440D+00
          EX( 85) = 0.19471079D+02
           C( 85) = 0.56729059D+00
          EX( 86) = 0.69725250D+01
           C( 86) = 0.31077344D+00
          EX( 87) = 0.60423504D+01
           C( 87) = 0.67702404D-03
          EX( 88) = 0.22157658D+01
           C( 88) = 0.14890928D-02
          EX( 89) = 0.76329744D+00
           C( 89) = 0.77597257D-03
          RETURN
          END IF
C ---
        ELSE IF (MMPTYP.EQ.121) THEN
          IF (MMPMOD.EQ.0) THEN
C
C*************************************************************
C     TITLE :  I/QR             CONFIGURATION : S02P05       *
C   VALENCE : (5S/5P)           BASIS SET     : ( 6/ 5)      *
C          EFFECTIVE CORE CHARGE :  7.000000                 *
C*************************************************************
C
C  ***     TOTAL ENERGY         =  -11.332526 A.U.
C
C  ***     ORBITAL ENERGY( 5S ) =    -.8763   A.U.
C  ***     ORBITAL ENERGY( 5P ) =    -.4016   A.U.
C
C         --- VALENCE-SHELL BASIS-SET
C
          ZCORE = IZSAVE -  7.0D+00
          SHINFO='5S/5P'
          NOSH= 2
          CDFCTR(1)='51'
          CDFCTR(2)='41'
             KNG(1)= 6
            KTYP(1)= 1
             KNG(2)= 5
            KTYP(2)= 2
          EX( 1)= 0.36634837D+02
           C( 1)=-0.12534226D+00
          EX( 2)= 0.96974388D+01
           C( 2)= 0.48110163D+00
          EX( 3)= 0.24211113D+01
           C( 3)=-0.50633073D+00
          EX( 4)= 0.14919333D+01
           C( 4)=-0.42217420D+00
          EX( 5)= 0.28454452D+00
           C( 5)= 0.83631197D+00
          EX( 6)= 0.11156761D+00
           C( 6)= 0.38947439D+00
          EX( 7)= 0.15302200D+02
           C( 7)= 0.14475557D+00
          EX( 8)= 0.22547480D+01
           C( 8)=-0.34844702D+00
          EX( 9)= 0.30886130D+00
           C( 9)= 0.63555399D+00
          EX(10)= 0.12028650D+00
           C(10)= 0.40007157D+00
          EX(11)= 0.49351600D-01
           C(11)= 0.99670848D-01
          RETURN
        ELSE
C
C         --- CORE-SHELLS AND MODEL-POTENTIAL
C
          ZCORE = IZSAVE -  7.0D+00
          NOAN0=  3
          NOAN1=  3
C         --- A-PARAMETERS FOR N=0
            AN0( 1)= 0.20504599D+01
          ALPN0( 1)= 0.94183536D+03
            AN0( 2)= 0.23914748D+01
          ALPN0( 2)= 0.93017494D+01
            AN0( 3)= 0.12522304D+01
          ALPN0( 3)= 0.15542621D+01
C         --- A-PARAMETERS FOR N=1
            AN1( 1)= 0.60210166D+02
          ALPN1( 1)= 0.37928653D+04
            AN1( 2)= 0.23268781D+02
          ALPN1( 2)= 0.21518616D+03
            AN1( 3)=-0.17106550D+02
          ALPN1( 3)= 0.23663273D+03
C         --- CORE-SHELL INFORMATION 
          NOSH     =  9
          KTYP( 1) =  1
           KNG( 1) = 13
          BPAR( 1) = 0.12273025D+04
          KTYP( 2) =  1
           KNG( 2) = 13
          BPAR( 2) = 0.19329688D+03
          KTYP( 3) =  1
           KNG( 3) = 13
          BPAR( 3) = 0.40567180D+02
          KTYP( 4) =  1
           KNG( 4) = 13
          BPAR( 4) = 0.77645400D+01
          KTYP( 5) =  2
           KNG( 5) = 10
          BPAR( 5) = 0.17341638D+03
          KTYP( 6) =  2
           KNG( 6) = 10
          BPAR( 6) = 0.33942800D+02
          KTYP( 7) =  2
           KNG( 7) = 10
          BPAR( 7) = 0.55897900D+01
          KTYP( 8) =  3
           KNG( 8) =  7
          BPAR( 8) = 0.23978430D+02
          KTYP( 9) =  3
           KNG( 9) =  7
          BPAR( 9) = 0.23054919D+01
C         --- EXPONENTS AND COEFFICIENTS 
          EX(  1) = 0.88811938D+05
           C(  1) = 0.17688811D-01
          EX(  2) = 0.88418083D+04
           C(  2) = 0.11903028D+00
          EX(  3) = 0.16837001D+04
           C(  3) = 0.43127019D+00
          EX(  4) = 0.42849749D+03
           C(  4) = 0.55737051D+00
          EX(  5) = 0.71856380D+03
           C(  5) =-0.48200670D-02
          EX(  6) = 0.77821646D+02
           C(  6) = 0.33042501D-01
          EX(  7) = 0.33533861D+02
           C(  7) = 0.24817932D-01
          EX(  8) = 0.62353742D+02
           C(  8) = 0.75570205D-02
          EX(  9) = 0.10649158D+02
           C(  9) =-0.25136061D-01
          EX( 10) = 0.46859485D+01
           C( 10) =-0.73393864D-02
          EX( 11) = 0.96405301D+01
           C( 11) = 0.00000000D+00
          EX( 12) = 0.21719254D+01
           C( 12) = 0.00000000D+00
          EX( 13) = 0.96858449D+00
           C( 13) = 0.00000000D+00
          EX( 14) = 0.88811938D+05
           C( 14) = 0.66582907D-02
          EX( 15) = 0.88418083D+04
           C( 15) = 0.44804494D-01
          EX( 16) = 0.16837001D+04
           C( 16) = 0.16233552D+00
          EX( 17) = 0.42849749D+03
           C( 17) = 0.20980126D+00
          EX( 18) = 0.71856380D+03
           C( 18) = 0.92891047D-01
          EX( 19) = 0.77821646D+02
           C( 19) =-0.63678628D+00
          EX( 20) = 0.33533861D+02
           C( 20) =-0.47828456D+00
          EX( 21) = 0.62353742D+02
           C( 21) = 0.54997546D-02
          EX( 22) = 0.10649158D+02
           C( 22) =-0.18293212D-01
          EX( 23) = 0.46859485D+01
           C( 23) =-0.53413676D-02
          EX( 24) = 0.96405301D+01
           C( 24) =-0.16158946D-02
          EX( 25) = 0.21719254D+01
           C( 25) = 0.40967933D-02
          EX( 26) = 0.96858449D+00
           C( 26) = 0.15092374D-02
          EX( 27) = 0.88811938D+05
           C( 27) = 0.30133933D-02
          EX( 28) = 0.88418083D+04
           C( 28) = 0.20277510D-01
          EX( 29) = 0.16837001D+04
           C( 29) = 0.73469419D-01
          EX( 30) = 0.42849749D+03
           C( 30) = 0.94951351D-01
          EX( 31) = 0.71856380D+03
           C( 31) = 0.49588475D-01
          EX( 32) = 0.77821646D+02
           C( 32) =-0.33993868D+00
          EX( 33) = 0.33533861D+02
           C( 33) =-0.25532495D+00
          EX( 34) = 0.62353742D+02
           C( 34) =-0.29985005D+00
          EX( 35) = 0.10649158D+02
           C( 35) = 0.99735732D+00
          EX( 36) = 0.46859485D+01
           C( 36) = 0.29121470D+00
          EX( 37) = 0.96405301D+01
           C( 37) =-0.72682740D-03
          EX( 38) = 0.21719254D+01
           C( 38) = 0.18427324D-02
          EX( 39) = 0.96858449D+00
           C( 39) = 0.67885309D-03
          EX( 40) = 0.88811938D+05
           C( 40) = 0.13618614D-02
          EX( 41) = 0.88418083D+04
           C( 41) = 0.91641403D-02
          EX( 42) = 0.16837001D+04
           C( 42) = 0.33203487D-01
          EX( 43) = 0.42849749D+03
           C( 43) = 0.42911950D-01
          EX( 44) = 0.71856380D+03
           C( 44) = 0.23244584D-01
          EX( 45) = 0.77821646D+02
           C( 45) =-0.15934617D+00
          EX( 46) = 0.33533861D+02
           C( 46) =-0.11968350D+00
          EX( 47) = 0.62353742D+02
           C( 47) =-0.18330397D+00
          EX( 48) = 0.10649158D+02
           C( 48) = 0.60970324D+00
          EX( 49) = 0.46859485D+01
           C( 49) = 0.17802501D+00
          EX( 50) = 0.96405301D+01
           C( 50) = 0.40899630D+00
          EX( 51) = 0.21719254D+01
           C( 51) =-0.10369322D+01
          EX( 52) = 0.96858449D+00
           C( 52) =-0.38200046D+00
          EX( 53) = 0.23499640D+04
           C( 53) = 0.25293892D-01
          EX( 54) = 0.49289604D+03
           C( 54) = 0.17306237D+00
          EX( 55) = 0.14885701D+03
           C( 55) = 0.49445754D+00
          EX( 56) = 0.51849594D+02
           C( 56) = 0.44943005D+00
          EX( 57) = 0.23868244D+02
           C( 57) = 0.20477173D-01
          EX( 58) = 0.99095576D+01
           C( 58) = 0.28290337D-01
          EX( 59) = 0.42268897D+01
           C( 59) = 0.53946902D-02
          EX( 60) = 0.34919196D+01
           C( 60) =-0.78637597D-02
          EX( 61) = 0.15638637D+01
           C( 61) =-0.81507969D-02
          EX( 62) = 0.66124462D+00
           C( 62) =-0.14163813D-02
          EX( 63) = 0.23499640D+04
           C( 63) = 0.13095193D-01
          EX( 64) = 0.49289604D+03
           C( 64) = 0.89598122D-01
          EX( 65) = 0.14885701D+03
           C( 65) = 0.25599134D+00
          EX( 66) = 0.51849594D+02
           C( 66) = 0.23267963D+00
          EX( 67) = 0.23868244D+02
           C( 67) =-0.45266022D+00
          EX( 68) = 0.99095576D+01
           C( 68) =-0.62537487D+00
          EX( 69) = 0.42268897D+01
           C( 69) =-0.11925287D+00
          EX( 70) = 0.34919196D+01
           C( 70) =-0.72155306D-03
          EX( 71) = 0.15638637D+01
           C( 71) =-0.74789066D-03
          EX( 72) = 0.66124462D+00
           C( 72) =-0.12996255D-03
          EX( 73) = 0.23499640D+04
           C( 73) = 0.58532321D-02
          EX( 74) = 0.49289604D+03
           C( 74) = 0.40048175D-01
          EX( 75) = 0.14885701D+03
           C( 75) = 0.11442189D+00
          EX( 76) = 0.51849594D+02
           C( 76) = 0.10400212D+00
          EX( 77) = 0.23868244D+02
           C( 77) =-0.29144102D+00
          EX( 78) = 0.99095576D+01
           C( 78) =-0.40264172D+00
          EX( 79) = 0.42268897D+01
           C( 79) =-0.76779833D-01
          EX( 80) = 0.34919196D+01
           C( 80) = 0.57693149D+00
          EX( 81) = 0.15638637D+01
           C( 81) = 0.59799022D+00
          EX( 82) = 0.66124462D+00
           C( 82) = 0.10391403D+00
          EX( 83) = 0.20962822D+03
           C( 83) = 0.54077330D-01
          EX( 84) = 0.57015838D+02
           C( 84) = 0.29283440D+00
          EX( 85) = 0.19471079D+02
           C( 85) = 0.56729059D+00
          EX( 86) = 0.69725250D+01
           C( 86) = 0.31077344D+00
          EX( 87) = 0.60423504D+01
           C( 87) = 0.67702404D-03
          EX( 88) = 0.22157658D+01
           C( 88) = 0.14890928D-02
          EX( 89) = 0.76329744D+00
           C( 89) = 0.77597257D-03
          EX( 90) = 0.20962822D+03
           C( 90) = 0.22358678D-01
          EX( 91) = 0.57015838D+02
           C( 91) = 0.12107458D+00
          EX( 92) = 0.19471079D+02
           C( 92) = 0.23455056D+00
          EX( 93) = 0.69725250D+01
           C( 93) = 0.12849161D+00
          EX( 94) = 0.60423504D+01
           C( 94) =-0.29257205D+00
          EX( 95) = 0.22157658D+01
           C( 95) =-0.64350291D+00
          EX( 96) = 0.76329744D+00
           C( 96) =-0.33533209D+00
          RETURN
          END IF
        END IF
        IERR=2
        RETURN
      END IF
C
C     --- 
C
      IF(IZSAVE.EQ.54) THEN
        ITYP(1)=121
        ITYP(2)=122
C ---
        IF (MMPTYP.EQ.122) THEN
          IF (MMPMOD.EQ.0) THEN
C
C*************************************************************
C     TITLE : XE/QR             CONFIGURATION : S02P06D10    *
C   VALENCE : (5S/5P/4D)        BASIS SET     : ( 8/ 7/ 6)   *
C          EFFECTIVE CORE CHARGE : 18.000000                 *
C*************************************************************
C
C  ***     TOTAL ENERGY         =  -128.80565860 A.U.
C
C  ***     ORBITAL ENERGY( 5S ) = -1.010260 A.U. <REFERENCE = -1.010214>
C  ***     ORBITAL ENERGY( 5P ) =  -.457545 A.U. <REFERENCE =  -.456616>
C  ***     ORBITAL ENERGY( 4D ) = -2.668886 A.U. <REFERENCE = -2.668927>
C
C  ***     ORBITAL ENERGY DEV. =    .00102     DENSITY DEV. =    .00688
C
C         --- VALENCE-SHELL BASIS-SET
C
          ZCORE = IZSAVE - 18.0D+00
          SHINFO='5S/5P/4D'
          NOSH= 3
          CDFCTR(1)='71'
          CDFCTR(2)='61'
          CDFCTR(3)='6'
             KNG(1)= 8
            KTYP(1)= 1
             KNG(2)= 7
            KTYP(2)= 2
             KNG(3)= 6
            KTYP(3)= 3
          EX( 1)= 0.14592590D+04
           C( 1)= 0.33116370D-01
          EX( 2)= 0.55933937D+02
           C( 2)=-0.16849577D+00
          EX( 3)= 0.10870228D+02
           C( 3)= 0.44505761D+00
          EX( 4)= 0.22143294D+01
           C( 4)=-0.35769229D+00
          EX( 5)= 0.16387990D+01
           C( 5)=-0.54422328D+00
          EX( 6)= 0.34726912D+00
           C( 6)= 0.68914589D+00
          EX( 7)= 0.19030374D+00
           C( 7)= 0.39761465D+00
          EX( 8)= 0.10011952D+00
           C( 8)= 0.18056046D+00
          EX( 9)= 0.20752644D+03
           C( 9)=-0.53238232D-01
          EX(10)= 0.13767016D+02
           C(10)= 0.19292865D+00
          EX(11)= 0.42727059D+01
           C(11)=-0.14108438D+00
          EX(12)= 0.19757904D+01
           C(12)=-0.33025408D+00
          EX(13)= 0.42803120D+00
           C(13)= 0.45502061D+00
          EX(14)= 0.18622157D+00
           C(14)= 0.51671363D+00
          EX(15)= 0.76040430D-01
           C(15)= 0.18598980D+00
          EX(16)= 0.22885114D+03
           C(16)=-0.26441127D-01
          EX(17)= 0.62788692D+02
           C(17)=-0.14125654D+00
          EX(18)= 0.21939669D+02
           C(18)=-0.21931414D+00
          EX(19)= 0.36354694D+01
           C(19)= 0.47109020D+00
          EX(20)= 0.15167320D+01
           C(20)= 0.50846285D+00
          EX(21)= 0.58277731D+00
           C(21)= 0.13770055D+00
          RETURN
        ELSE
C
C         --- CORE-SHELLS AND MODEL-POTENTIAL
C
          ZCORE = IZSAVE - 18.0D+00
          NOAN0=  3
          NOAN1=  3
C         --- A-PARAMETERS FOR N=0
            AN0( 1)= 0.19660547D+01
          ALPN0( 1)= 0.25766605D+03
            AN0( 2)= 0.18657018D+00
          ALPN0( 2)= 0.21893106D+01
            AN0( 3)= 0.37867082D-01
          ALPN0( 3)= 0.99591894D+00
C         --- A-PARAMETERS FOR N=1
            AN1( 1)= 0.35406064D+02
          ALPN1( 1)= 0.39718284D+04
            AN1( 2)= 0.10841850D+02
          ALPN1( 2)= 0.41145619D+02
            AN1( 3)= 0.18766422D-01
          ALPN1( 3)= 0.36986463D+01
C         --- CORE-SHELL INFORMATION 
          NOSH     =  8
          KTYP( 1) =  1
           KNG( 1) = 13
          BPAR( 1) = 0.25573482D+04
          KTYP( 2) =  1
           KNG( 2) = 13
          BPAR( 2) = 0.40551465D+03
          KTYP( 3) =  1
           KNG( 3) = 13
          BPAR( 3) = 0.86112969D+02
          KTYP( 4) =  1
           KNG( 4) = 13
          BPAR( 4) = 0.16870339D+02
          KTYP( 5) =  2
           KNG( 5) = 10
          BPAR( 5) = 0.36375122D+03
          KTYP( 6) =  2
           KNG( 6) = 10
          BPAR( 6) = 0.72246326D+02
          KTYP( 7) =  2
           KNG( 7) = 10
          BPAR( 7) = 0.12277074D+02
          KTYP( 8) =  3
           KNG( 8) =  7
          BPAR( 8) = 0.51574230D+02
C         --- EXPONENTS AND COEFFICIENTS 
          EX(  1) = 0.94872140D+05
           C(  1) = 0.17681216D-01
          EX(  2) = 0.93491241D+04
           C(  2) = 0.11847626D+00
          EX(  3) = 0.17685117D+04
           C(  3) = 0.43016960D+00
          EX(  4) = 0.44814755D+03
           C(  4) = 0.55914767D+00
          EX(  5) = 0.75387479D+03
           C(  5) =-0.48339054D-02
          EX(  6) = 0.81483993D+02
           C(  6) = 0.33333392D-01
          EX(  7) = 0.35149649D+02
           C(  7) = 0.25263436D-01
          EX(  8) = 0.65330410D+02
           C(  8) = 0.76259268D-02
          EX(  9) = 0.11176127D+02
           C(  9) =-0.25383415D-01
          EX( 10) = 0.49096530D+01
           C( 10) =-0.73071750D-02
          EX( 11) = 0.10182698D+02
           C( 11) = 0.00000000D+00
          EX( 12) = 0.23128757D+01
           C( 12) = 0.00000000D+00
          EX( 13) = 0.10384203D+01
           C( 13) = 0.00000000D+00
          EX( 14) = 0.94872140D+05
           C( 14) = 0.66773633D-02
          EX( 15) = 0.93491241D+04
           C( 15) = 0.44742911D-01
          EX( 16) = 0.17685117D+04
           C( 16) = 0.16245481D+00
          EX( 17) = 0.44814755D+03
           C( 17) = 0.21116376D+00
          EX( 18) = 0.75387479D+03
           C( 18) = 0.91977229D-01
          EX( 19) = 0.81483993D+02
           C( 19) =-0.63425175D+00
          EX( 20) = 0.35149649D+02
           C( 20) =-0.48070051D+00
          EX( 21) = 0.65330410D+02
           C( 21) = 0.55761468D-02
          EX( 22) = 0.11176127D+02
           C( 22) =-0.18560582D-01
          EX( 23) = 0.49096530D+01
           C( 23) =-0.53430726D-02
          EX( 24) = 0.10182698D+02
           C( 24) =-0.16368609D-02
          EX( 25) = 0.23128757D+01
           C( 25) = 0.41452906D-02
          EX( 26) = 0.10384203D+01
           C( 26) = 0.14739097D-02
          EX( 27) = 0.94872140D+05
           C( 27) = 0.30339990D-02
          EX( 28) = 0.93491241D+04
           C( 28) = 0.20329872D-01
          EX( 29) = 0.17685117D+04
           C( 29) = 0.73814727D-01
          EX( 30) = 0.44814755D+03
           C( 30) = 0.95946651D-01
          EX( 31) = 0.75387479D+03
           C( 31) = 0.49310025D-01
          EX( 32) = 0.81483993D+02
           C( 32) =-0.34002949D+00
          EX( 33) = 0.35149649D+02
           C( 33) =-0.25770895D+00
          EX( 34) = 0.65330410D+02
           C( 34) =-0.30104232D+00
          EX( 35) = 0.11176127D+02
           C( 35) = 0.10020397D+01
          EX( 36) = 0.49096530D+01
           C( 36) = 0.28845922D+00
          EX( 37) = 0.10182698D+02
           C( 37) =-0.59409360D-03
          EX( 38) = 0.23128757D+01
           C( 38) = 0.15045204D-02
          EX( 39) = 0.10384203D+01
           C( 39) = 0.53495097D-03
          EX( 40) = 0.94872140D+05
           C( 40) = 0.13861837D-02
          EX( 41) = 0.93491241D+04
           C( 41) = 0.92883806D-02
          EX( 42) = 0.17685117D+04
           C( 42) = 0.33724720D-01
          EX( 43) = 0.44814755D+03
           C( 43) = 0.43836429D-01
          EX( 44) = 0.75387479D+03
           C( 44) = 0.23377022D-01
          EX( 45) = 0.81483993D+02
           C( 45) =-0.16120204D+00
          EX( 46) = 0.35149649D+02
           C( 46) =-0.12217531D+00
          EX( 47) = 0.65330410D+02
           C( 47) =-0.18663801D+00
          EX( 48) = 0.11176127D+02
           C( 48) = 0.62123726D+00
          EX( 49) = 0.49096530D+01
           C( 49) = 0.17883683D+00
          EX( 50) = 0.10182698D+02
           C( 50) = 0.41607996D+00
          EX( 51) = 0.23128757D+01
           C( 51) =-0.10537074D+01
          EX( 52) = 0.10384203D+01
           C( 52) =-0.37465878D+00
          EX( 53) = 0.25012860D+04
           C( 53) = 0.24638704D-01
          EX( 54) = 0.52353083D+03
           C( 54) = 0.16922995D+00
          EX( 55) = 0.15801520D+03
           C( 55) = 0.48904540D+00
          EX( 56) = 0.55076217D+02
           C( 56) = 0.45616578D+00
          EX( 57) = 0.25100586D+02
           C( 57) = 0.22253728D-01
          EX( 58) = 0.10434965D+02
           C( 58) = 0.31038765D-01
          EX( 59) = 0.44475793D+01
           C( 59) = 0.58809202D-02
          EX( 60) = 0.37236457D+01
           C( 60) =-0.95014335D-02
          EX( 61) = 0.16805740D+01
           C( 61) =-0.97724378D-02
          EX( 62) = 0.71310273D+00
           C( 62) =-0.16187020D-02
          EX( 63) = 0.25012860D+04
           C( 63) = 0.12823360D-01
          EX( 64) = 0.52353083D+03
           C( 64) = 0.88076738D-01
          EX( 65) = 0.15801520D+03
           C( 65) = 0.25452659D+00
          EX( 66) = 0.55076217D+02
           C( 66) = 0.23741421D+00
          EX( 67) = 0.25100586D+02
           C( 67) =-0.45008263D+00
          EX( 68) = 0.10434965D+02
           C( 68) =-0.62776038D+00
          EX( 69) = 0.44475793D+01
           C( 69) =-0.11894187D+00
          EX( 70) = 0.37236457D+01
           C( 70) =-0.56331447D-03
          EX( 71) = 0.16805740D+01
           C( 71) =-0.57938158D-03
          EX( 72) = 0.71310273D+00
           C( 72) =-0.95968488D-04
          EX( 73) = 0.25012860D+04
           C( 73) = 0.58154052D-02
          EX( 74) = 0.52353083D+03
           C( 74) = 0.39942879D-01
          EX( 75) = 0.15801520D+03
           C( 75) = 0.11542803D+00
          EX( 76) = 0.55076217D+02
           C( 76) = 0.10766755D+00
          EX( 77) = 0.25100586D+02
           C( 77) =-0.29545935D+00
          EX( 78) = 0.10434965D+02
           C( 78) =-0.41209693D+00
          EX( 79) = 0.44475793D+01
           C( 79) =-0.78080078D-01
          EX( 80) = 0.37236457D+01
           C( 80) = 0.58402324D+00
          EX( 81) = 0.16805740D+01
           C( 81) = 0.60068102D+00
          EX( 82) = 0.71310273D+00
           C( 82) = 0.99496516D-01
          EX( 83) = 0.24389666D+03
           C( 83) = 0.44651392D-01
          EX( 84) = 0.66791199D+02
           C( 84) = 0.25510935D+00
          EX( 85) = 0.23151349D+02
           C( 85) = 0.54209271D+00
          EX( 86) = 0.85821204D+01
           C( 86) = 0.36151530D+00
          EX( 87) = 0.64194991D+01
           C( 87) = 0.73789719D-02
          EX( 88) = 0.23541997D+01
           C( 88) = 0.15643418D-01
          EX( 89) = 0.83171584D+00
           C( 89) = 0.77203161D-02
          RETURN
          END IF
C ---
        ELSE IF (MMPTYP.EQ.121) THEN
          IF (MMPMOD.EQ.0) THEN
C
C*************************************************************
C     TITLE : XE/QR             CONFIGURATION : S02P06       *
C   VALENCE : (5S/5P)           BASIS SET     : ( 6/ 5)      *
C          EFFECTIVE CORE CHARGE :  8.000000                 *
C*************************************************************
C
C  ***     TOTAL ENERGY         =  -15.467033 A.U.
C
C  ***     ORBITAL ENERGY( 5S ) =   -1.0103   A.U.
C  ***     ORBITAL ENERGY( 5P ) =    -.4566   A.U.
C
C         --- VALENCE-SHELL BASIS-SET
C
          ZCORE = IZSAVE -  8.0D+00
          SHINFO='5S/5P'
          NOSH= 2
          CDFCTR(1)='51'
          CDFCTR(2)='41'
             KNG(1)= 6
            KTYP(1)= 1
             KNG(2)= 5
            KTYP(2)= 2
          EX( 1)= 0.38284372D+02
           C( 1)=-0.11068944D+00
          EX( 2)= 0.10242260D+02
           C( 2)= 0.42740538D+00
          EX( 3)= 0.24847347D+01
           C( 3)=-0.51809856D+00
          EX( 4)= 0.16028705D+01
           C( 4)=-0.41172372D+00
          EX( 5)= 0.32028256D+00
           C( 5)= 0.85957470D+00
          EX( 6)= 0.12653757D+00
           C( 6)= 0.38411105D+00
          EX( 7)= 0.16052238D+02
           C( 7)= 0.12379518D+00
          EX( 8)= 0.24334928D+01
           C( 8)=-0.35677909D+00
          EX( 9)= 0.35093677D+00
           C( 9)= 0.65486894D+00
          EX(10)= 0.13781088D+00
           C(10)= 0.38756573D+00
          EX(11)= 0.56655350D-01
           C(11)= 0.98798495D-01
          RETURN
        ELSE
C
C         --- CORE-SHELLS AND MODEL-POTENTIAL
C
          ZCORE = IZSAVE -  8.0D+00
          NOAN0=  3
          NOAN1=  3
C         --- A-PARAMETERS FOR N=0
            AN0( 1)= 0.18136390D+01
          ALPN0( 1)= 0.11463619D+04
            AN0( 2)= 0.19949570D+01
          ALPN0( 2)= 0.97043622D+01
            AN0( 3)= 0.10468468D+01
          ALPN0( 3)= 0.16169167D+01
C         --- A-PARAMETERS FOR N=1
            AN1( 1)= 0.37251616D+02
          ALPN1( 1)= 0.43562491D+04
            AN1( 2)= 0.33003162D+02
          ALPN1( 2)= 0.19389169D+03
            AN1( 3)=-0.20050966D+02
          ALPN1( 3)= 0.24202818D+03
C         --- CORE-SHELL INFORMATION 
          NOSH     =  9
          KTYP( 1) =  1
           KNG( 1) = 13
          BPAR( 1) = 0.12786742D+04
          KTYP( 2) =  1
           KNG( 2) = 13
          BPAR( 2) = 0.20275740D+03
          KTYP( 3) =  1
           KNG( 3) = 13
          BPAR( 3) = 0.43056500D+02
          KTYP( 4) =  1
           KNG( 4) = 13
          BPAR( 4) = 0.84351500D+01
          KTYP( 5) =  2
           KNG( 5) = 10
          BPAR( 5) = 0.18187576D+03
          KTYP( 6) =  2
           KNG( 6) = 10
          BPAR( 6) = 0.36123230D+02
          KTYP( 7) =  2
           KNG( 7) = 10
          BPAR( 7) = 0.61385240D+01
          KTYP( 8) =  3
           KNG( 8) =  7
          BPAR( 8) = 0.25787230D+02
          KTYP( 9) =  3
           KNG( 9) =  7
          BPAR( 9) = 0.26689270D+01
C         --- EXPONENTS AND COEFFICIENTS 
          EX(  1) = 0.94872140D+05
           C(  1) = 0.17681216D-01
          EX(  2) = 0.93491241D+04
           C(  2) = 0.11847626D+00
          EX(  3) = 0.17685117D+04
           C(  3) = 0.43016960D+00
          EX(  4) = 0.44814755D+03
           C(  4) = 0.55914767D+00
          EX(  5) = 0.75387479D+03
           C(  5) =-0.48339054D-02
          EX(  6) = 0.81483993D+02
           C(  6) = 0.33333392D-01
          EX(  7) = 0.35149649D+02
           C(  7) = 0.25263436D-01
          EX(  8) = 0.65330410D+02
           C(  8) = 0.76259268D-02
          EX(  9) = 0.11176127D+02
           C(  9) =-0.25383415D-01
          EX( 10) = 0.49096530D+01
           C( 10) =-0.73071750D-02
          EX( 11) = 0.10182698D+02
           C( 11) = 0.00000000D+00
          EX( 12) = 0.23128757D+01
           C( 12) = 0.00000000D+00
          EX( 13) = 0.10384203D+01
           C( 13) = 0.00000000D+00
          EX( 14) = 0.94872140D+05
           C( 14) = 0.66773633D-02
          EX( 15) = 0.93491241D+04
           C( 15) = 0.44742911D-01
          EX( 16) = 0.17685117D+04
           C( 16) = 0.16245481D+00
          EX( 17) = 0.44814755D+03
           C( 17) = 0.21116376D+00
          EX( 18) = 0.75387479D+03
           C( 18) = 0.91977229D-01
          EX( 19) = 0.81483993D+02
           C( 19) =-0.63425175D+00
          EX( 20) = 0.35149649D+02
           C( 20) =-0.48070051D+00
          EX( 21) = 0.65330410D+02
           C( 21) = 0.55761468D-02
          EX( 22) = 0.11176127D+02
           C( 22) =-0.18560582D-01
          EX( 23) = 0.49096530D+01
           C( 23) =-0.53430726D-02
          EX( 24) = 0.10182698D+02
           C( 24) =-0.16368609D-02
          EX( 25) = 0.23128757D+01
           C( 25) = 0.41452906D-02
          EX( 26) = 0.10384203D+01
           C( 26) = 0.14739097D-02
          EX( 27) = 0.94872140D+05
           C( 27) = 0.30339989D-02
          EX( 28) = 0.93491241D+04
           C( 28) = 0.20329872D-01
          EX( 29) = 0.17685117D+04
           C( 29) = 0.73814725D-01
          EX( 30) = 0.44814755D+03
           C( 30) = 0.95946649D-01
          EX( 31) = 0.75387479D+03
           C( 31) = 0.49310024D-01
          EX( 32) = 0.81483993D+02
           C( 32) =-0.34002948D+00
          EX( 33) = 0.35149649D+02
           C( 33) =-0.25770894D+00
          EX( 34) = 0.65330410D+02
           C( 34) =-0.30104231D+00
          EX( 35) = 0.11176127D+02
           C( 35) = 0.10020397D+01
          EX( 36) = 0.49096530D+01
           C( 36) = 0.28845921D+00
          EX( 37) = 0.10182698D+02
           C( 37) =-0.59409359D-03
          EX( 38) = 0.23128757D+01
           C( 38) = 0.15045204D-02
          EX( 39) = 0.10384203D+01
           C( 39) = 0.53495096D-03
          EX( 40) = 0.94872140D+05
           C( 40) = 0.13861837D-02
          EX( 41) = 0.93491241D+04
           C( 41) = 0.92883806D-02
          EX( 42) = 0.17685117D+04
           C( 42) = 0.33724720D-01
          EX( 43) = 0.44814755D+03
           C( 43) = 0.43836429D-01
          EX( 44) = 0.75387479D+03
           C( 44) = 0.23377022D-01
          EX( 45) = 0.81483993D+02
           C( 45) =-0.16120204D+00
          EX( 46) = 0.35149649D+02
           C( 46) =-0.12217531D+00
          EX( 47) = 0.65330410D+02
           C( 47) =-0.18663801D+00
          EX( 48) = 0.11176127D+02
           C( 48) = 0.62123726D+00
          EX( 49) = 0.49096530D+01
           C( 49) = 0.17883683D+00
          EX( 50) = 0.10182698D+02
           C( 50) = 0.41607996D+00
          EX( 51) = 0.23128757D+01
           C( 51) =-0.10537074D+01
          EX( 52) = 0.10384203D+01
           C( 52) =-0.37465878D+00
          EX( 53) = 0.25012860D+04
           C( 53) = 0.24638704D-01
          EX( 54) = 0.52353083D+03
           C( 54) = 0.16922995D+00
          EX( 55) = 0.15801520D+03
           C( 55) = 0.48904540D+00
          EX( 56) = 0.55076217D+02
           C( 56) = 0.45616578D+00
          EX( 57) = 0.25100586D+02
           C( 57) = 0.22253728D-01
          EX( 58) = 0.10434965D+02
           C( 58) = 0.31038765D-01
          EX( 59) = 0.44475793D+01
           C( 59) = 0.58809202D-02
          EX( 60) = 0.37236457D+01
           C( 60) =-0.95014335D-02
          EX( 61) = 0.16805740D+01
           C( 61) =-0.97724378D-02
          EX( 62) = 0.71310273D+00
           C( 62) =-0.16187020D-02
          EX( 63) = 0.25012860D+04
           C( 63) = 0.12823360D-01
          EX( 64) = 0.52353083D+03
           C( 64) = 0.88076738D-01
          EX( 65) = 0.15801520D+03
           C( 65) = 0.25452659D+00
          EX( 66) = 0.55076217D+02
           C( 66) = 0.23741421D+00
          EX( 67) = 0.25100586D+02
           C( 67) =-0.45008263D+00
          EX( 68) = 0.10434965D+02
           C( 68) =-0.62776038D+00
          EX( 69) = 0.44475793D+01
           C( 69) =-0.11894187D+00
          EX( 70) = 0.37236457D+01
           C( 70) =-0.56331447D-03
          EX( 71) = 0.16805740D+01
           C( 71) =-0.57938158D-03
          EX( 72) = 0.71310273D+00
           C( 72) =-0.95968487D-04
          EX( 73) = 0.25012860D+04
           C( 73) = 0.58154052D-02
          EX( 74) = 0.52353083D+03
           C( 74) = 0.39942879D-01
          EX( 75) = 0.15801520D+03
           C( 75) = 0.11542803D+00
          EX( 76) = 0.55076217D+02
           C( 76) = 0.10766755D+00
          EX( 77) = 0.25100586D+02
           C( 77) =-0.29545935D+00
          EX( 78) = 0.10434965D+02
           C( 78) =-0.41209693D+00
          EX( 79) = 0.44475793D+01
           C( 79) =-0.78080078D-01
          EX( 80) = 0.37236457D+01
           C( 80) = 0.58402324D+00
          EX( 81) = 0.16805740D+01
           C( 81) = 0.60068102D+00
          EX( 82) = 0.71310273D+00
           C( 82) = 0.99496516D-01
          EX( 83) = 0.24389666D+03
           C( 83) = 0.44651392D-01
          EX( 84) = 0.66791199D+02
           C( 84) = 0.25510935D+00
          EX( 85) = 0.23151349D+02
           C( 85) = 0.54209271D+00
          EX( 86) = 0.85821204D+01
           C( 86) = 0.36151530D+00
          EX( 87) = 0.64194991D+01
           C( 87) = 0.73789719D-02
          EX( 88) = 0.23541997D+01
           C( 88) = 0.15643418D-01
          EX( 89) = 0.83171584D+00
           C( 89) = 0.77203161D-02
          EX( 90) = 0.24389666D+03
           C( 90) = 0.18971278D-01
          EX( 91) = 0.66791199D+02
           C( 91) = 0.10838969D+00
          EX( 92) = 0.23151349D+02
           C( 92) = 0.23032185D+00
          EX( 93) = 0.85821204D+01
           C( 93) = 0.15359895D+00
          EX( 94) = 0.64194991D+01
           C( 94) =-0.30297327D+00
          EX( 95) = 0.23541997D+01
           C( 95) =-0.64230324D+00
          EX( 96) = 0.83171584D+00
           C( 96) =-0.31698852D+00
          RETURN
          END IF
        END IF
        IERR=2
        RETURN
      END IF
C ...
C
C--   IF (MODE.EQ.0) THEN
C--      IERR=1
C--      RETURN
C--   END IF
C
      WRITE(IW,9999) IZSAVE
      CALL ABRT
      STOP
 9999 FORMAT(/1X,'*** NO MOD-POT AVAILABLE FOR ATOM A=',I4)
      END
