! 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  -7.0041504402   3.8601459333   0.2347804173
O    1.4539959097   0.8922838617   0.4431923038
O    1.0968522492  -3.2242876479   0.3160317520
N    2.1500685151  -1.2258190702   0.1045112778
N    3.3228545297  -3.2493447124  -0.1289724589
N    4.7154230817  -4.6351972221  -1.1180453183
C    0.9393114117  -0.4166458727   0.4501073098
C    3.2728511148  -0.3381202904  -0.2944628389
C    2.4732422819   0.9458208539  -0.5201882257
C   -0.1483977204  -0.5895544145  -0.6204120887
C    0.4455223910  -0.6989459539   1.8578844683
C    4.2714704378  -0.1239798390   0.8397045168
C    3.9793926772  -0.7338040298  -1.5825115172
C   -1.4736820253   0.1208061451  -0.3511517502
C    2.0925276584  -2.5598379652   0.1182509705
C   -1.4293543451   1.6514863351  -0.3429551870
C   -2.8077821332   2.2333517750  -0.2065337172
C    4.3502060833  -3.4622921834   0.7565213268
C    3.5846104620  -4.0001720591  -1.2303726226
C   -3.3255715099   2.5515096390   1.0462534191
C   -3.6221280252   2.4269240360  -1.3198377784
C    5.1998679671  -4.3145186609   0.1199314686
C   -4.6116139642   3.0502033742   1.1934641690
C   -4.9106047001   2.9248498505  -1.1953321906
C   -5.3954889032   3.2329581753   0.0659495002
H    3.0709161068   1.8422424381  -0.3563561853
H    2.0722703628   0.9884980639  -1.5410453460
H   -0.3649307783  -1.6518791967  -0.7256398357
H    0.2449605187  -0.2669019443  -1.5894595298
H   -0.2537287016   0.0773446083   2.1704723136
H    1.2754301294  -0.7001117639   2.5654334019
H   -0.0699616767  -1.6536694316   1.9260164802
H    4.8579456142  -1.0161241140   1.0473258949
H    3.7779042697   0.1850553720   1.7616692921
H    4.9764850857   0.6601119367   0.5595024384
H    3.2737672926  -1.0366220653  -2.3568382519
H    4.5220186859   0.1357666308  -1.9587044238
H    4.7153189752  -1.5236652980  -1.4450280742
H   -2.1654403218  -0.1968305690  -1.1366836282
H   -1.9137985056  -0.2379087798   0.5834156109
H   -0.9662147803   2.0030385471  -1.2693275534
H   -0.8040283240   2.0138594804   0.4731187310
H    4.3637467272  -3.0369271861   1.7453085774
H    2.9216538593  -4.0206241235  -2.0816295609
H   -2.7151447392   2.4127157995   1.9309989493
H   -3.2471118793   2.1913776235  -2.3089882418
H    6.1274994370  -4.7189339551   0.4938572950
H   -4.9918912018   3.2946057586   2.1762697017
H   -5.5249778903   3.0727071270  -2.0733993265
*