! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl   0.3282710915   1.2884110054   1.1162076185
Cl   4.6348771761   2.3411488005   0.9418426473
Cl  -2.8733756411   4.7472492364  -1.4425395544
S    0.2821637583  -2.9474146251  -0.0798549812
N   -2.2905637830  -2.6987670292   1.2358858739
N   -0.4715256812  -0.6319035217  -1.0625954869
N   -3.0949162635  -3.3547842112   0.3937464834
N   -2.6138900951  -4.6247750447   2.1824775533
C   -1.7539181092  -1.4073550917   0.9060249697
C    1.6860062962  -2.4683026352  -1.1309178873
C   -0.7008835258  -1.5002124837  -0.1740753190
C    2.4315069547  -1.2743483112  -0.6134105358
C    3.0044258173  -1.2836053126   0.6542956988
C    2.5640892353  -0.1331735176  -1.3959255203
C   -1.0881910191   0.6107913057  -1.0918522728
C    3.6880136935  -0.1797152152   1.1375056658
C    3.2487501300   0.9793008722  -0.9314856245
C   -2.0065199822  -3.4709284890   2.2863006787
C   -0.7771023112   1.6145723714  -0.1696332899
C   -1.9603867059   0.9317219978  -2.1316128557
C    3.7991600441   0.9466071867   0.3375250902
C   -1.3199358996   2.8860854088  -0.2714952243
C   -2.5204275657   2.1910504088  -2.2423363874
C   -2.1930369963   3.1618353943  -1.3087807729
C   -3.2587847948  -4.4959106682   1.0076022820
H   -1.3065231976  -0.9887296286   1.8080108636
H   -2.5642892622  -0.7473133165   0.5983431270
H    1.3372803570  -2.3134859836  -2.1505820599
H    2.3176961381  -3.3587757571  -1.1354305155
H    2.9123861375  -2.1583634971   1.2861768517
H    2.1205924541  -0.1025774880  -2.3822310330
H    4.1246596526  -0.2003742928   2.1265726184
H    3.3347945494   1.8618219388  -1.5504576169
H   -1.3698326283  -3.1462451313   3.0941559346
H   -2.1996910101   0.1742640198  -2.8658377859
H   -1.0593904299   3.6462460917   0.4514020125
H   -3.1981278729   2.4103832618  -3.0555118688
H   -3.8757649680  -5.2742051230   0.5874475768
*