! 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  -6.9633700769   3.8654619169   0.5420195574
O    1.4106138713   0.8109810159   0.6002159018
O    1.1049685849  -3.2510102813  -0.1066756399
N    2.1402076430  -1.2357980085   0.0117953027
N    3.3624170273  -3.2080432565  -0.3560749124
N    5.1806394488  -4.3487278993   0.1298384276
C    0.9035643910  -0.4838765041   0.3899423734
C    3.2713878869  -0.3002982549  -0.2220297894
C    2.4733472091   1.0029875528  -0.2962976133
C   -0.1172083014  -0.5072585150  -0.7573954076
C    0.3244921904  -0.9609979741   1.7103201145
C    4.2324558093  -0.2433667282   0.9615330132
C    4.0172625682  -0.5201845070  -1.5294462021
C   -1.4541690383   0.1758852549  -0.4752251901
C    2.1016699195  -2.5607782614  -0.1421968463
C   -1.4096827858   1.6988634774  -0.3227171215
C   -2.7845610741   2.2673750180  -0.1168177925
C    3.7288728771  -3.8618044296  -1.5065178665
C    4.2605107843  -3.5588742525   0.6023029528
C   -3.3032960627   2.4130053213   1.1674470716
C   -3.5934017795   2.6227470065  -1.1932708601
C    4.8660344554  -4.5375743573  -1.1878811248
C   -4.5838847256   2.9001222495   1.3810218789
C   -4.8769669035   3.1133131125  -1.0021823872
C   -5.3621111431   3.2476752550   0.2886935267
H    3.0575289057   1.8656426015   0.0246571969
H    2.1204187520   1.1952556939  -1.3180803395
H   -0.3279351805  -1.5468461303  -1.0062785705
H    0.3330994712  -0.0697782879  -1.6538908999
H   -0.2285973336  -1.8905010304   1.6030905203
H   -0.3629918831  -0.2122376843   2.1054918987
H    1.1122982291  -1.1078514243   2.4500512678
H    3.7070127712  -0.0774371820   1.9025769900
H    4.9333123680   0.5810205688   0.8215941509
H    4.8282361822  -1.1483462287   1.0580493431
H    4.7477859324  -1.3247188889  -1.4781287977
H    3.3359250341  -0.7174960541  -2.3578219525
H    4.5683339556   0.3907706773  -1.7717304594
H   -2.1176292336  -0.0641087882  -1.3110299925
H   -1.9281282086  -0.2677630172   0.4047507504
H   -0.9536333581   2.1357685480  -1.2155394909
H   -0.7771677716   1.9818628216   0.5184433791
H    3.1743699587  -3.7692900521  -2.4249793884
H    4.1688330464  -3.2252950640   1.6240530029
H   -2.6969713191   2.1463630644   2.0253555474
H   -3.2174871495   2.5235364562  -2.2048495048
H    5.4732945738  -5.1482642028  -1.8375714277
H   -4.9638905612   3.0092075509   2.3879421289
H   -5.4860913600   3.3899368148  -1.8522598562
*