! 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  -2.9765264382   3.5528296300   0.3207127061
N   -0.7552496873  -2.4478514567  -0.6904649373
N   -0.7814972492  -3.4890220647   0.1456798016
N   -2.8503347779  -2.7050376239  -0.1940453325
N    1.6865799274  -2.0116078987   2.0382232222
C    1.1038481921  -0.8547749868  -0.2317445248
C    2.4469495570  -0.3865279899  -0.8361831401
C    0.4878524710  -1.9159183133  -1.1779942259
C    3.1593346801   0.6883967336  -0.0284660407
C    0.1112960153   0.2824146810  -0.0382613926
C    4.4870689839   1.0908933411  -0.6584735181
C    1.4070973963  -1.5006975147   1.0472191360
C   -0.1380422144   1.1487834865  -1.1010807257
C   -0.6156493616   0.4466299146   1.1337716867
C    5.1937036460   2.1856487106   0.1257069679
C   -1.0821316466   2.1555029549  -0.9981490687
C   -1.5654405198   1.4513664876   1.2530511536
C   -1.9965901489  -1.9849839085  -0.8772583000
C   -1.7924753907   2.2989938269   0.1841108138
C   -2.0552581318  -3.6081713209   0.4149530103
H    2.2581710979  -0.0270887537  -1.8505855728
H    3.0928468635  -1.2622654997  -0.9428229805
H    1.1815360835  -2.7423187295  -1.3235001132
H    0.3131839846  -1.4553176109  -2.1493631879
H    3.3394181370   0.3331385153   0.9912019525
H    2.5210962940   1.5719019256   0.0620560268
H    4.3153521618   1.4295686902  -1.6846860800
H    5.1366519934   0.2135729606  -0.7313752438
H    0.4018584361   1.0523699455  -2.0347305816
H   -0.4596152393  -0.2078293606   1.9817654369
H    6.1429212399   2.4589038182  -0.3372877734
H    5.4072631045   1.8689999195   1.1485626420
H    4.5845460505   3.0900191255   0.1827925399
H   -1.2585182628   2.8185411651  -1.8341586777
H   -2.1206632864   1.5606776022   2.1745642345
H   -2.2236117422  -1.1450875180  -1.5155198625
H   -2.4284756958  -4.3801260476   1.0698514089
*