! 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  -2.1593654822  -0.9025516291  -2.5617424797
Cl   4.5545018937   2.9526334490   1.1764179036
Cl  -3.4590422315   3.6602432273  -0.0425196047
S    1.5482023654  -3.1173375428  -0.0677060585
N   -1.9269525518  -1.9181117835   1.3522155027
N    0.0681546606  -1.0298571709  -0.6249184345
N   -2.7288699234  -2.4468895867   0.4274044033
N   -3.8311856217  -0.9336890605   1.6559657175
C   -0.5488162869  -2.3066096783   1.4355253659
C    2.5865117569  -2.1882650561  -1.2375459579
C    0.2338290780  -1.9834278068   0.1792466124
C    3.1030046122  -0.9074056638  -0.6542216797
C    2.7385043347   0.3177982935  -1.2005227829
C    3.9396287680  -0.9193541488   0.4583511049
C   -0.7977303865   0.0330754863  -0.4337210070
C    3.1847052220   1.5096348128  -0.6485238996
C    4.3943676883   0.2608827679   1.0236225881
C   -2.5950479236  -1.0155761284   2.0767686621
C   -1.8669449196   0.2415239680  -1.3056367192
C   -0.5499141133   1.0002925617   0.5401085049
C    4.0054557274   1.4695658095   0.4656295623
C   -2.6946667325   1.3443462694  -1.1846623280
C   -1.3576614827   2.1165443090   0.6667632616
C   -2.4318188760   2.2743728169  -0.1931274510
C   -3.8586349667  -1.8263048264   0.6451139997
H   -0.4907940141  -3.3764182025   1.6434726892
H   -0.0902257923  -1.7986027484   2.2847543289
H    2.0231483209  -2.0179496965  -2.1538418846
H    3.3996120803  -2.8772135256  -1.4751392675
H    2.0882549440   0.3512341531  -2.0645717746
H    4.2381304103  -1.8608371972   0.9037335809
H    2.8839935524   2.4540002580  -1.0815950047
H    5.0416266328   0.2350576711   1.8898202047
H   -2.1440608857  -0.4582038175   2.8823277108
H    0.3010247030   0.8803518617   1.1987676271
H   -3.5286292547   1.4738467775  -1.8605809673
H   -1.1450774261   2.8517200737   1.4307246961
H   -4.7396146884  -2.0239696548   0.0551815370
*