!cc-pVDZ-F12+f_3rd
!H, B, C, N, O, F, Si, P, S, Cl
basis={
default,cc-pvdz-f12
spd,Si,cc-pvdz-f12;c
spd,P,cc-pvdz-f12;c
spd,S,cc-pvdz-f12;c
spd,Cl,cc-pvdz-f12;c
f,Si,0.3360000
f,P,0.4520000
f,S,0.5570000
f,Cl,0.7060000
set,TrdRwRi,context=optri
!
! silicon              (4s,4p,4d,3f,1g) -> [4s,4p,4d,3f,1g]
s, SI , 6.6811890, 0.6600330, 0.1609560, 0.0500420
c, 1.1, 1.0000000
c, 2.2, 1.0000000
c, 3.3, 1.0000000
c, 4.4, 1.0000000
p, SI , 6.9064700, 1.0218240, 0.1427110, 0.0407240
c, 1.1, 1.0000000
c, 2.2, 1.0000000
c, 3.3, 1.0000000
c, 4.4, 1.0000000
d, SI , 7.5055050, 4.9210230, 1.1546700, 0.3693730
c, 1.1, 1.0000000
c, 2.2, 1.0000000
c, 3.3, 1.0000000
c, 4.4, 1.0000000
f, SI , 3.3800740, 0.5671640, 0.2418750
c, 1.1, 1.0000000
c, 2.2, 1.0000000
c, 3.3, 1.0000000
g, SI , 0.4564510
c, 1.1, 1.0000000
!
! phosphorus           (4s,4p,4d,3f,1g) -> [4s,4p,4d,3f,1g]
s, P , 6.0884850, 1.0982720, 0.2569160, 0.0621100
c, 1.1, 1.0000000
c, 2.2, 1.0000000
c, 3.3, 1.0000000
c, 4.4, 1.0000000
p, P , 12.0829970, 1.2019850, 0.3012610, 0.0635680
c, 1.1, 1.0000000
c, 2.2, 1.0000000
c, 3.3, 1.0000000
c, 4.4, 1.0000000
d, P , 11.9104400, 5.4138310, 1.4110740, 0.4400530
c, 1.1, 1.0000000
c, 2.2, 1.0000000
c, 3.3, 1.0000000
c, 4.4, 1.0000000
f, P , 4.2592250, 0.6983490, 0.2881710
c, 1.1, 1.0000000
c, 2.2, 1.0000000
c, 3.3, 1.0000000
g, P , 0.5961850
c, 1.1, 1.0000000
!
! sulfur               (4s,4p,4d,3f,1g) -> [4s,4p,4d,3f,1g]
s, S , 7.5028510, 1.5487110, 0.3694970, 0.0767690
c, 1.1, 1.0000000
c, 2.2, 1.0000000
c, 3.3, 1.0000000
c, 4.4, 1.0000000
p, S , 12.7539930, 1.7882320, 0.2969830, 0.0732060
c, 1.1, 1.0000000
c, 2.2, 1.0000000
c, 3.3, 1.0000000
c, 4.4, 1.0000000
d, S , 17.2562730, 6.7239500, 1.5600430, 0.4978020
c, 1.1, 1.0000000
c, 2.2, 1.0000000
c, 3.3, 1.0000000
c, 4.4, 1.0000000
f, S , 4.8461710, 0.8983480, 0.3612870
c, 1.1, 1.0000000
c, 2.2, 1.0000000
c, 3.3, 1.0000000
g, S , 0.7478690
c, 1.1, 1.0000000
!
! chlorine             (4s,4p,4d,3f,1g) -> [4s,4p,4d,3f,1g]
s, CL , 9.4600060, 2.0100350, 0.4406760, 0.1054030
c, 1.1, 1.0000000
c, 2.2, 1.0000000
c, 3.3, 1.0000000
c, 4.4, 1.0000000
p, CL , 15.1031670, 2.1148780, 0.3597420, 0.0731310
c, 1.1, 1.0000000
c, 2.2, 1.0000000
c, 3.3, 1.0000000
c, 4.4, 1.0000000
d, CL , 35.0064610, 10.3520360, 4.1476210, 0.5612310
c, 1.1, 1.0000000
c, 2.2, 1.0000000
c, 3.3, 1.0000000
c, 4.4, 1.0000000
f, CL , 6.0226350, 1.0693640, 0.4213250
c, 1.1, 1.0000000
c, 2.2, 1.0000000
c, 3.3, 1.0000000
g, CL , 0.9124370
c, 1.1, 1.0000000
}
