! 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 "1-OCTANOL"
end
*xyz 0 1
Cl  -2.9050824752   1.4136510523   1.9309248057
S    1.2953512475  -2.0342841847   0.9291623910
O    2.4771987263   1.4870273337   2.1293536704
O    1.4541500891  -3.4679076886   0.8373823200
O    1.1217046215  -1.4036609837   2.2241380028
O    0.8523681680   1.2625802036   0.6020561097
O    0.5396659548  -2.5591273137  -1.8805340351
O   -4.8274920134   1.5092216757  -2.6855846217
N   -0.0523717658  -1.5679236816   0.0750213952
N   -1.2891962097  -1.2378718755  -1.8645735436
N   -3.0603476625   0.1309275004  -2.2770724391
N   -2.1310348415   0.0336702543  -0.1129398916
C    2.6613625963  -1.2555256390   0.1126950891
C    2.9035562133   0.1051507470   0.3052512924
C    3.5257658747  -2.0429720720  -0.6302622002
C    4.0377298037   0.6654647690  -0.2633346235
C    4.6465557836  -1.4632852024  -1.2058025853
C    4.9007410416  -0.1143971833  -1.0214330712
C    1.9468370365   1.0019640876   1.0277287504
C   -0.2101919092  -1.8425301190  -1.2554776871
C    1.6688740521   2.3627906606   2.9410720865
C   -2.1924617757  -0.3214307523  -1.3837216101
C    1.6900633171   3.7869947337   2.4399640484
C   -3.9349476560   1.0208318358  -1.8545223736
C   -3.9607185057   1.4888818571  -0.5313223477
C   -3.0095183531   0.9389405317   0.2839477762
C   -4.8195256609   1.0659455631  -4.0423276164
H    3.3399806792  -3.0998053483  -0.7572161349
H    4.2473586284   1.7182489423  -0.1254065989
H   -0.6748362621  -0.8680854726   0.5026675202
H    5.3225783962  -2.0725874992  -1.7897058334
H    5.7776577978   0.3384397726  -1.4640829663
H   -1.3892317809  -1.4631733438  -2.8459593360
H    2.1130223443   2.2945396097   3.9323258316
H    0.6510429902   1.9744911599   2.9994315414
H    1.2113107772   3.8912484937   1.4669386946
H    1.1451660990   4.4152267895   3.1460491271
H    2.7085203424   4.1709236103   2.3724926237
H   -4.6767087555   2.2241667683  -0.1970937899
H   -4.9903454360  -0.0080043461  -4.1139172344
H   -3.8821595032   1.3170304658  -4.5384899090
H   -5.6364893760   1.5938290637  -4.5263637028
*