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SUBROUTINE SETUPG
IMPLICIT DOUBLE PRECISION (A-H,O-Z)
INCLUDE 'SIZES'
COMMON /EXPONT/ ZS(107),ZP(107),ZD(107)
COMMON /NATYPE/ NZTYPE(107),MTYPE(30),LTYPE
COMMON /TEMP/ CC(60,6),ZZ(60,6)
COMMON /STO6G/ ALLC(6,6,2),ALLZ(6,6,2)
C SET-UP THE STEWART'S STO-6G EXPANSIONS
C 1S
ALLZ(1,1,1) =2.310303149D01
ALLZ(2,1,1) =4.235915534D00
ALLZ(3,1,1) =1.185056519D00
ALLZ(4,1,1) =4.070988982D-01
ALLZ(5,1,1) =1.580884151D-01
ALLZ(6,1,1) =6.510953954D-02
C
ALLC(1,1,1) =9.163596280D-03
ALLC(2,1,1) =4.936149294D-02
ALLC(3,1,1) =1.685383049D-01
ALLC(4,1,1) =3.705627997D-01
ALLC(5,1,1) =4.164915298D-01
ALLC(6,1,1) =1.303340841D-01
C 2S
ALLZ(1,2,1) =2.768496241D01
ALLZ(2,2,1) =5.077140627D00
ALLZ(3,2,1) =1.426786050D00
ALLZ(4,2,1) =2.040335729D-01
ALLZ(5,2,1) =9.260298399D-02
ALLZ(6,2,1) =4.416183978D-02
C
ALLC(1,2,1) =-4.151277819D-03
ALLC(2,2,1) =-2.067024148D-02
ALLC(3,2,1) =-5.150303337D-02
ALLC(4,2,1) =3.346271174D-01
ALLC(5,2,1) =5.621061301D-01
ALLC(6,2,1) =1.712994697D-01
C 2P
ALLZ(1,2,2) =5.868285913D00
ALLZ(2,2,2) =1.530329631D00
ALLZ(3,2,2) =5.475665231D-01
ALLZ(4,2,2) =2.288932733D-01
ALLZ(5,2,2) =1.046655969D-01
ALLZ(6,2,2) =4.948220127D-02
C
ALLC(1,2,2) =7.924233646D-03
ALLC(2,2,2) =5.144104825D-02
ALLC(3,2,2) =1.898400060D-01
ALLC(4,2,2) =4.049863191D-01
ALLC(5,2,2) =4.012362861D-01
ALLC(6,2,2) =1.051855189D-01
C 3S
ALLZ(1,3,1) =3.273031938D00
ALLZ(2,3,1) =9.200611311D-01
ALLZ(3,3,1) =3.593349765D-01
ALLZ(4,3,1) =8.636686991D-02
ALLZ(5,3,1) =4.797373812D-02
ALLZ(6,3,1) =2.724741144D-02
ALLC(1,3,1) =-6.775596947D-03
ALLC(2,3,1) =-5.639325779D-02
ALLC(3,3,1) =-1.587856086D-01
ALLC(4,3,1) =5.534527651D-01
ALLC(5,3,1) =5.015351020D-01
ALLC(6,3,1) =7.223633674D-02
C 3P
ALLZ(1,3,2) =5.077973607D00
ALLZ(2,3,2) =1.340786940D00
ALLZ(3,3,2) =2.248434849D-01
ALLZ(4,3,2) =1.131741848D-01
ALLZ(5,3,2) =6.076408893D-02
ALLZ(6,3,2) =3.315424265D-02
ALLC(1,3,2) =-3.329929840D-03
ALLC(2,3,2) =-1.419488340D-02
ALLC(3,3,2) =1.639395770D-01
ALLC(4,3,2) =4.485358256D-01
ALLC(5,3,2) =3.908813050D-01
ALLC(6,3,2) =7.411456232D-02
C 4S
ALLZ(1,4,1) = 1.365346 D+00
ALLZ(2,4,1) = 4.393213 D-01
ALLZ(3,4,1) = 1.877069 D-01
ALLZ(4,4,1) = 9.360270 D-02
ALLZ(5,4,1) = 5.052263 D-02
ALLZ(6,4,1) = 2.809354 D-02
ALLC(1,4,1) = 3.775056 D-03
ALLC(2,4,1) =-5.585965 D-02
ALLC(3,4,1) =-3.192946 D-01
ALLC(4,4,1) =-2.764780 D-02
ALLC(5,4,1) = 9.049199 D-01
ALLC(6,4,1) = 3.406258 D-01
C 4P
ALLC(1,4,2) =-7.052075 D-03
ALLC(2,4,2) =-5.259505 D-02
ALLC(3,4,2) =-3.773450 D-02
ALLC(4,4,2) = 3.874773 D-01
ALLC(5,4,2) = 5.791672 D-01
ALLC(6,4,2) = 1.221817 D-01
ALLZ(1,4,2) = 1.365346 D+00
ALLZ(2,4,2) = 4.393213 D-01
ALLZ(3,4,2) = 1.877069 D-01
ALLZ(4,4,2) = 9.360270 D-02
ALLZ(5,4,2) = 5.052263 D-02
ALLZ(6,4,2) = 2.809354 D-02
C 5S
ALLZ(1,5,1) = 7.701420258D-01
ALLZ(2,5,1) = 2.756268915D-01
ALLZ(3,5,1) = 1.301847480D-01
ALLZ(4,5,1) = 6.953441940D-02
ALLZ(5,5,1) = 4.002545502D-02
ALLZ(6,5,1) = 2.348388309D-02
ALLC(1,5,1) = 1.267447151D-02
ALLC(2,5,1) = 3.266734789D-03
ALLC(3,5,1) =-4.307553999D-01
ALLC(4,5,1) =-3.231998963D-01
ALLC(5,5,1) = 1.104322879D+00
ALLC(6,5,1) = 4.368498703D-01
C 5P
ALLZ(1,5,2) = 7.701420258D-01
ALLZ(2,5,2) = 2.756268915D-01
ALLZ(3,5,2) = 1.301847480D-01
ALLZ(4,5,2) = 6.953441940D-02
ALLZ(5,5,2) = 4.002545502D-02
ALLZ(6,5,2) = 2.348388309D-02
ALLC(1,5,2) =-1.105673292D-03
ALLC(2,5,2) =-6.243132446D-02
ALLC(3,5,2) =-1.628476766D-01
ALLC(4,5,2) = 3.210328714D-01
ALLC(5,5,2) = 6.964579592D-01
ALLC(6,5,2) = 1.493146125D-01
C 6S
ALLZ(1,6,1) = 5.800292686D-01
ALLZ(2,6,1) = 2.718262251D-01
ALLZ(3,6,1) = 7.938523262D-02
ALLZ(4,6,1) = 4.975088254D-02
ALLZ(5,6,1) = 2.983643556D-02
ALLZ(6,6,1) = 1.886067216D-02
ALLC(1,6,1) = 4.554359511D-03
ALLC(2,6,1) = 5.286443143D-02
ALLC(3,6,1) =-7.561016358D-01
ALLC(4,6,1) =-2.269803820D-01
ALLC(5,6,1) = 1.332494651D+00
ALLC(6,6,1) = 3.622518293D-01
C 6P
ALLZ(1,6,2) = 6.696537714D-01
ALLZ(2,6,2) = 1.395089793D-01
ALLZ(3,6,2) = 8.163894960D-02
ALLZ(4,6,2) = 4.586329272D-02
ALLZ(5,6,2) = 2.961305556D-02
ALLZ(6,6,2) = 1.882221321D-02
ALLC(1,6,2) = 2.782723680D-03
ALLC(2,6,2) =-1.282887780D-01
ALLC(3,6,2) =-2.266255943D-01
ALLC(4,6,2) = 4.682259383D-01
ALLC(5,6,2) = 6.752048848D-01
ALLC(6,6,2) = 1.091534212D-01
DO 30 I=1,10
IF(MTYPE(I).EQ.0)GOTO 30
NI=MTYPE(I)
XI=ZS(NI)
IA=I*4-3
IB=IA+3
IF(NI.LT.2) THEN
NQN=1
ELSEIF(NI.LT.10)THEN
NQN=2
ELSEIF(NI.LT.18)THEN
NQN=3
ELSEIF(NI.LT.36)THEN
NQN=4
ELSEIF(NI.LT.54)THEN
NQN=5
ELSE
NQN=6
ENDIF
DO 20 K=IA,IB
L=1
IF(K.GT.IA) L=2
IF(K.GT.IA) XI=ZP(NI)
DO 10 J=1,6
CC(K,J)=ALLC(J,NQN,L)
10 ZZ(K,J)=ALLZ(J,NQN,L)*XI**2
20 CONTINUE
30 CONTINUE
RETURN
END
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