! 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  -4.5436991577  -1.6789037831  -0.4703047964
Cl   0.3067999439   2.0106256280  -2.1468753870
O    0.3177857818   0.2708056166   1.8120431920
N    1.6929264387   0.3354774761   0.0222950567
N   -0.3013399454   4.1155853262  -0.8099275805
C    1.3921715856  -2.0925705838   0.2034146015
C    2.2205178429  -0.9644195071   0.1664669531
C   -0.0717628835  -1.9994504638   0.0293746640
C    1.9868343071  -3.3404960007   0.3830930701
C    3.6008480576  -1.1048214633   0.2563894291
C   -0.9333404041  -2.5384941532   0.9805692692
C   -0.6190401514  -1.3801350505  -1.0907505221
C    3.3622462956  -3.4798635807   0.4792586332
C    4.1733146414  -2.3579548392   0.3998417580
C    0.7682791907   0.8646473564   0.8509616552
C    0.3374846717   2.2741353872   0.5796861465
C   -2.3079788326  -2.4509168331   0.8314333670
C   -1.9912115192  -1.2757801862  -1.2509515534
C   -2.8259161294  -1.8103399529  -0.2828488815
C    0.0756030769   3.0617017814   1.6985922131
C    0.1080756451   2.8808383341  -0.6555279864
C   -0.3472029093   4.3687747688   1.5526793812
C   -0.5182100813   4.8551189655   0.2694335184
H    1.3568279967  -4.2205109520   0.4164419866
H    4.2271053258  -0.2218115138   0.2259395958
H    2.1718698059   0.9459282315  -0.6221080258
H   -0.5314499174  -3.0180825168   1.8641289100
H    0.0293813276  -0.9788349663  -1.8573800435
H    3.7974742270  -4.4626737638   0.6027723565
H    5.2491029764  -2.4529142477   0.4633530002
H   -2.9638984987  -2.8683662018   1.5834626666
H   -2.4006401260  -0.7891525858  -2.1258327086
H    0.2152363036   2.6431416984   2.6862926728
H   -0.5433607540   4.9939303711   2.4118176418
H   -0.8454315877   5.8724161134   0.0950856742
*