! 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 4
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl  -4.6848717481  -0.5436144716   1.6546945426
S   -1.7889621670  -1.2303703668  -0.3412279328
O   -1.5469232334  -1.3916898058  -1.7595607180
O   -2.4627694083  -2.2649482032   0.4065524459
O   -0.9562220177  -0.5274941340   2.4095553296
O    3.3814174811  -1.9099443326  -1.9026959827
O    5.7985233894  -1.1023681140   1.9769439471
N   -2.2920225739   1.4399177415  -0.5938410858
N   -1.2442274215   1.6509897093  -1.3758366873
N   -4.1035014806   1.8145597726   0.6345788614
N   -0.2801649370  -0.9431219571   0.2829608605
N    1.2601217073  -0.6997911830   2.0031646102
N    2.3055561835  -1.3002873739   0.0168196789
N    3.5256237307  -0.9024451079   1.9945534811
C   -2.6520292398   0.2366919016  -0.0451454852
C   -1.0729470563   2.8764614561  -1.7808708212
C    0.0832548407   3.1556091468  -2.6933907885
C   -3.1955707524   2.3667539804  -0.1601090595
C    1.1898783942   2.1093525290  -2.7000317476
C   -1.9539591356   3.9337862394  -1.4111982085
C   -3.0168034499   3.6881259648  -0.6021499949
C   -3.7718388333   0.5300763077   0.7121144031
C    1.9601284190   2.0330757066  -1.3908031687
C   -0.0611999577  -0.7213949216   1.6183251479
C    2.4084956593  -0.9846417140   1.2968239326
C    3.4352013981  -1.5782166768  -0.6262390271
C    4.6456255664  -1.1713487977   1.3387936237
C    4.6712543809  -1.5290467011  -0.0049330915
C    2.1113919302  -1.9978470188  -2.5422271916
C    5.8050312856  -0.7218964695   3.3501113536
H   -0.3231675688   3.2723801133  -3.7036599937
H    0.4968220655   4.1337307372  -2.4325913905
H    1.8783929360   2.3629665707  -3.5089788961
H    0.7721886690   1.1318489779  -2.9507814224
H   -1.7607671964   4.9314353596  -1.7802276832
H   -3.7079712147   4.4584584777  -0.2913047979
H    2.3767544108   3.0060927520  -1.1221092829
H    1.3294764565   1.7040853727  -0.5652129582
H    2.7950629623   1.3350195824  -1.4662917738
H    1.4033461765  -0.4855068063   2.9815458456
H    5.5900892609  -1.7518025655  -0.5273132241
H    2.3166319373  -2.3089361974  -3.5629369094
H    1.6024055717  -1.0331110575  -2.5681265204
H    1.4698137488  -2.7415301130  -2.0685641492
H    5.4028100341   0.2812597027   3.4926857715
H    6.8490800515  -0.7340339448   3.6520907940
H    5.2453192897  -1.4243967378   3.9676163448
H    0.5380309476  -1.1182658209  -0.3169733257
*