! 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   2.3877977021  -0.9483179448   2.5471308933
Cl  -4.8119181625  -1.0860621356  -3.0470851617
Cl   2.9348568845  -4.8673368057  -1.0897405556
S   -0.6273482218   2.4121965149   1.2242897266
N    2.0511573671   2.9051286548   0.2813542897
N    0.0648667048  -0.0895414405   0.8506877731
N    1.6977952845   3.9416668781  -0.4832894101
N    2.8406836557   4.6402179770   1.3109132991
C    1.6621443054   1.5597551278  -0.0422236583
C   -2.1217408181   1.4815132141   1.6763640480
C    0.4095220314   1.1110375402   0.6810258574
C   -2.7971875509   0.8431985654   0.4990435822
C   -3.2545801592   1.6153153580  -0.5648570954
C   -2.9822005608  -0.5337796476   0.4505388579
C    0.7994883134  -1.1669480345   0.3737279457
C   -3.8759084581   1.0315757290  -1.6569046426
C   -3.6066462402  -1.1351635682  -0.6320729890
C    2.7293491052   3.3376231962   1.3507183267
C    1.8710284688  -1.7104899347   1.0826009005
C    0.4064912792  -1.8028918016  -0.8031509009
C   -4.0444400983  -0.3445746319  -1.6814221420
C    2.5329123354  -2.8453404194   0.6425609340
C    1.0563514993  -2.9339762197  -1.2617185684
C    2.1170547630  -3.4481902868  -0.5322238372
C    2.1944310836   4.9588006035   0.1699323964
H    2.4900124798   0.8878935331   0.1819006730
H    1.4857112841   1.5063785027  -1.1172941530
H   -2.7646577965   2.2320912767   2.1405305227
H   -1.8699477369   0.7502722275   2.4430400335
H   -3.1207395276   2.6903656181  -0.5532614951
H   -2.6294502285  -1.1538065949   1.2640878442
H   -4.2240556839   1.6448369695  -2.4769923057
H   -3.7397007542  -2.2083437913  -0.6551691630
H    3.1168261739   2.6773264922   2.1114888075
H   -0.4323053269  -1.4009890783  -1.3564336070
H    3.3614376953  -3.2469401719   1.2095047253
H    0.7325343809  -3.4083469384  -2.1779208624
H    2.0903513615   5.9708193632  -0.1886656198
*