! 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   0.4365214125  -0.1959701496   2.0237773987
Cl  -7.5554715084  -0.7681079380   0.8544951819
O    3.1237408624  -0.2182378069   0.8347129100
O    3.4564416733   0.5253759335  -1.2562909479
O   -2.4521503323  -1.5100746073  -1.9202181049
N    3.6734553972   2.5850010763   0.6255095156
N    4.1298104880   2.5079021081   1.8774425995
N    5.6612254518   3.4497648491   0.5421933537
C    2.5590951416   0.5520631574  -0.1850997848
C    4.3371607843  -0.8122935548   0.3831353799
C    2.4085942940   2.0178869216   0.2434336177
C    4.2405208764  -0.6453682163  -1.1231577237
C    1.2007564460  -0.0099944591  -0.5954672475
C    4.4339686888  -2.2437328801   0.8498117348
C    0.2073839077  -0.3659152065   0.3145197468
C    0.8961484990  -0.1544324058  -1.9465430074
C   -1.0216174032  -0.8626350005  -0.0922506679
C   -0.3248241991  -0.6365858173  -2.3816255088
C   -1.2846837117  -0.9941592889  -1.4481349385
C    4.5998016092   3.1400829792  -0.1609705412
C    5.3208881180   3.0392136142   1.7809043733
C   -3.6199296903  -1.3076397181  -1.2354174643
C   -3.9957361760  -0.0464201407  -0.7909829321
C   -4.4539783724  -2.3988687564  -1.0498370379
C   -5.2090117473   0.1179058402  -0.1435043661
C   -5.6745218257  -2.2327556924  -0.4134563296
C   -6.0398974426  -0.9766175910   0.0427563739
H    5.1857574581  -0.2384711178   0.7752193439
H    1.7242195441   2.1101953965   1.0838606218
H    1.9979939085   2.5972107849  -0.5835982336
H    5.2039181740  -0.4806274217  -1.6039154783
H    3.7546007650  -1.5073479904  -1.5975789617
H    4.4553202269  -2.3058008428   1.9379987624
H    5.3562860148  -2.6927999691   0.4783671439
H    3.5946864634  -2.8388858994   0.4867085677
H    1.6313191109   0.1249080954  -2.6882790533
H   -1.7561901203  -1.1462965609   0.6499563663
H   -0.5296169953  -0.7351791276  -3.4395837117
H    4.4527795938   3.3076905125  -1.2161294336
H    5.9685391472   3.1434443432   2.6377872156
H   -3.3566061445   0.8135341568  -0.9467230658
H   -4.1566429198  -3.3775196865  -1.4039529196
H   -5.5015915016   1.0993962750   0.2039460383
H   -6.3259723089  -3.0840729678  -0.2701640759
*