! 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  -3.6847830896   2.6738360395  -3.3150771835
O    1.7621554713   1.3259005322   0.3457580262
O    2.3120584887  -2.8205216057  -1.1012301487
N    1.6665935878  -0.8531386402  -0.1781435309
N    1.8255616998  -2.8093657583   1.1170272582
N    0.9040698643  -3.9715579067   2.7429307032
C    1.4791463171   0.0960372615   0.9654191492
C    1.6572525559  -0.1135204868  -1.4659765779
C    1.2461688864   1.2704827695  -0.9602416508
C    0.0245871331   0.0601679990   1.4563692929
C    2.4802777712  -0.0635777506   2.0940986729
C    3.0487915073  -0.0401797695  -2.0898651428
C    0.6273423810  -0.6481823486  -2.4488045806
C   -0.3854337309   1.2614396907   2.3050735399
C    1.9590058638  -2.1551003084  -0.1511161642
C   -1.9060338374   1.4688286879   2.3126268905
C   -2.4260619730   1.7865889611   0.9381844206
C    2.8573155380  -3.3976165595   1.8055850856
C    0.6712930805  -3.2104466608   1.7126974882
C   -2.1594813421   3.0231908007   0.3524106386
C   -3.1101642494   0.8405526069   0.1805690565
C    2.2648647846  -4.0884082625   2.8170017302
C   -2.5462405444   3.3073096356  -0.9476130713
C   -3.5031791946   1.1029648085  -1.1249845047
C   -3.2112903597   2.3364284350  -1.6806011773
H    1.6863599990   2.0750967122  -1.5494490667
H    0.1557084999   1.4023861710  -0.9743029593
H   -0.1345203234  -0.8485351277   2.0370274651
H   -0.6333527252  -0.0257568362   0.5881974022
H    2.2381186149  -0.8906490456   2.7568360165
H    2.4698545093   0.8426942225   2.7020299049
H    3.4952328630  -0.1962142914   1.7179620705
H    3.4258632038  -1.0176754382  -2.3800603091
H    3.7667312181   0.4177521020  -1.4076294464
H    3.0079543491   0.5769569473  -2.9891124274
H   -0.3478505086  -0.7745600478  -1.9738036884
H    0.5045347875   0.0696888639  -3.2630504389
H    0.9215907773  -1.5976513653  -2.8917428340
H   -0.0420588096   1.1309200782   3.3341486132
H    0.0862714795   2.1743778422   1.9367107262
H   -2.1443222152   2.2846481634   2.9994075303
H   -2.4026804409   0.5770574367   2.7032251976
H    3.8893177349  -3.2510365422   1.5345389066
H   -0.2984673606  -2.9395027581   1.3254590895
H   -1.6342049458   3.7853964501   0.9161401954
H   -3.3391180905  -0.1289639582   0.6070374863
H    2.7483236498  -4.6611599362   3.5929273318
H   -2.3266310371   4.2739292127  -1.3808553266
H   -4.0263870323   0.3478267673  -1.6961397486
*