! 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  -0.1396317029  -0.9538999081   0.8948067391
Cl  -4.2509198239  -1.8059497738   2.2980468615
Cl   4.0354496694  -3.7030667517  -1.0792598943
S   -0.8482911458   3.1421781801  -1.2968127927
N    1.7561876493   1.9943736313   0.8393023304
N    0.1536074915   0.7239918723  -1.5131496601
N    0.8730186687   2.4106010866   1.7471195201
N    2.3775233382   1.0399307213   2.6806240979
C    1.6644565297   2.4234390591  -0.5330577046
C   -2.2877773218   2.1562651546  -1.7785590060
C    0.3785997919   1.9130517405  -1.1546451133
C   -2.7377536110   1.1703132544  -0.7376167081
C   -3.1069246281  -0.1129377502  -1.1231664081
C   -2.8347054402   1.5147977068   0.6057744250
C    1.1106236139  -0.2775024319  -1.3893446257
C   -3.5797978578  -1.0325151381  -0.2006957712
C   -3.2989178829   0.6065188819   1.5436748060
C    2.6457432706   1.1736329220   1.4059332887
C    1.0561097959  -1.1784610542  -0.3237681473
C    2.0945106715  -0.4659637997  -2.3567447336
C   -3.6704361636  -0.6624327005   1.1301240587
C    1.9502866364  -2.2304577923  -0.2197528439
C    2.9973983036  -1.5125896389  -2.2698194908
C    2.9169142191  -2.3876903473  -1.1996015204
C    1.2832484404   1.8124796649   2.8348456074
H    2.5278616996   2.0337089770  -1.0705266691
H    1.7221258268   3.5113185471  -0.5760023849
H   -2.0803428533   1.6612191298  -2.7268470200
H   -3.0646498583   2.9007449422  -1.9705043741
H   -3.0227381746  -0.4096281646  -2.1613201631
H   -2.5328637814   2.4991445094   0.9404614836
H   -3.8608497389  -2.0273310985  -0.5191289741
H   -3.3665635144   0.8895156761   2.5855333380
H    3.4569612423   0.7168164515   0.8605926695
H    2.1443712800   0.2127421161  -3.1985635301
H    1.8924809318  -2.9120093099   0.6177046582
H    3.7510054630  -1.6391243840  -3.0347796915
H    0.7772365697   1.9394732900   3.7791682517
*