! 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   0.1386729891   0.7937754266   2.9596355418
Cl   4.5078030434   0.7903672841  -0.1161860512
N   -1.4136885614  -1.8380109569  -0.3225633506
N   -2.0088927366  -2.0131837391  -1.5041968756
N   -0.1701076138  -3.2815333454  -1.3633581892
C   -1.5111353681   0.5618709707   0.3532875191
C   -2.2459275258   1.1679951067  -0.8467313499
C   -1.9107943439  -0.8940688212   0.6503797575
C   -0.0076580310   0.6554829083   0.2445500524
C   -3.7383842262   1.3618570268  -0.6049346845
C    0.8199051814   0.7410366667   1.3642034214
C    0.6299595437   0.5978383035  -0.9931475444
C   -4.4317953050   2.0044363515  -1.7959763203
C    2.2024979988   0.7863727610   1.2704469526
C    2.0077825974   0.6353107125  -1.1238435644
C   -0.3161937335  -2.5949766043  -0.2550981624
C    2.7852945892   0.7333536202   0.0166438233
C   -1.2306571296  -2.8862899330  -2.0929358768
H   -1.8266954102   1.1260100308   1.2356330937
H   -1.7984306993   2.1419151943  -1.0649009026
H   -2.1073913018   0.5573816830  -1.7411339022
H   -2.9937248355  -0.9963701328   0.6991807971
H   -1.5220363563  -1.1971613856   1.6221709099
H   -4.2179607343   0.4032883792  -0.3927913953
H   -3.8858677319   1.9817530644   0.2839477614
H    0.0374777105   0.5230100056  -1.8947699759
H   -4.3612190132   1.3750768874  -2.6846022943
H   -3.9903719898   2.9719484832  -2.0418786438
H   -5.4911012285   2.1696640092  -1.5957910199
H    2.8107469404   0.8623808983   2.1609029094
H    2.4620836625   0.5881851813  -2.1037144113
H    0.3284895628  -2.6223425989   0.6094907627
H   -1.4391004232  -3.2566688530  -3.0845654796
*