! 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  -6.3733441052   4.8216888090   0.4514160001
O    1.8250365186   1.0397394808  -0.0343153159
O    1.3528846014  -2.8203291171   1.3499518382
N    2.3025017663  -1.1619009906   0.1262964424
N    3.0860836135  -3.3720201551  -0.0037962127
N    4.5527936153  -5.0116454814  -0.0150656060
C    1.3079667400  -0.1307581473   0.5510795438
C    3.4540615365  -0.5182240289  -0.5593310127
C    3.2230024936   0.9131772224  -0.0752969082
C   -0.0597112074  -0.4006312956  -0.0714616193
C    1.2542071262   0.0325071525   2.0693730015
C    4.8251162298  -0.9983925407  -0.1065645331
C    3.3266761448  -0.5734687577  -2.0789175315
C   -1.0832262820   0.7035669898   0.1716647536
C    2.1738829687  -2.4230534781   0.5501093778
C   -2.3969068864   0.4127721046  -0.5570153513
C   -3.4135449691   1.4936501960  -0.3262773819
C    3.1348070996  -3.8380497707  -1.2949451034
C    3.9447740239  -4.1318988068   0.7259285805
C   -3.4662082932   2.6132675907  -1.1527649566
C   -4.2964948852   1.4300446705   0.7485693712
C    4.0480554189  -4.8468770666  -1.2760787818
C   -4.3699187015   3.6398606296  -0.9228126133
C   -5.2080102551   2.4457742593   0.9964275124
C   -5.2358610127   3.5461654627   0.1548996146
H    3.6786305057   1.0764932915   0.9104538228
H    3.6282347589   1.6558014002  -0.7628012148
H   -0.4517060329  -1.3413866203   0.3187070091
H    0.0785116608  -0.5377354578  -1.1483282149
H    2.2516890652   0.0469996274   2.5109524635
H    0.6880943056  -0.7601255757   2.5504666302
H    0.7752563167   0.9812216342   2.3123588905
H    5.1307897590  -1.9307676675  -0.5775134644
H    4.8838035488  -1.1112668829   0.9764966337
H    5.5634470543  -0.2472075359  -0.3944153181
H    3.4675286419  -1.5797628660  -2.4665939849
H    2.3576430119  -0.2083244813  -2.4202717633
H    4.0971872951   0.0522218720  -2.5322146853
H   -1.2893630819   0.8051853849   1.2404970416
H   -0.6935378350   1.6676471621  -0.1645955457
H   -2.7941362987  -0.5481783365  -0.2192543637
H   -2.2023299917   0.3110057774  -1.6280241453
H    2.4988074679  -3.4587589422  -2.0757888109
H    4.0937591440  -3.9724793161   1.7827605351
H   -2.7933268491   2.6900083277  -1.9987759267
H   -4.2809132087   0.5702073896   1.4079575959
H    4.3588375809  -5.4675002448  -2.1019491967
H   -4.3971339899   4.4989641873  -1.5797423792
H   -5.8880041460   2.3746228707   1.8347833552
*