! 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   5.3392188937   3.0034070231  -1.0163220837
O   -2.0441799582  -0.9315442496   1.5709657480
N   -0.7163859812  -2.8702788557  -0.2219484767
N   -0.4004606352  -3.1890268836   1.0369188561
N    1.2067593357  -3.8677246532  -0.3570677589
C   -1.9456081206  -0.7548933927   0.1773470916
C   -3.1773939983   0.0490044259  -0.2991848641
C   -0.7134861086   0.1247974688  -0.2439763732
C   -2.7131570381   1.4997364981  -0.2174313075
C   -1.3139799110   1.4260237718  -0.8098500822
C   -4.5297550322  -0.2898340062   0.3518340426
C   -1.9173096498  -2.1185044873  -0.5245642196
C    0.2634205139   0.3874587498   0.9107959698
C   -4.8032871098   0.4432059795   1.6624547050
C   -5.6630394911  -0.0049646001  -0.6322530453
C    1.5307029281   1.0469913128   0.4438915341
C    0.2512299681  -3.2784901620  -1.0412526130
C    2.5022262305   0.3129685951  -0.2353399721
C    1.7714633074   2.4002037278   0.6624060860
C    3.6719401954   0.9023032068  -0.6873013845
C    2.9359012799   3.0114666631   0.2172863752
C    0.7618516369  -3.7824103154   0.9083263948
C    3.8780097049   2.2543052425  -0.4573542010
H   -3.2766822221  -0.1740633711  -1.3704986391
H   -0.1540154536  -0.3850291184  -1.0345727473
H   -2.6711722600   1.8407516554   0.8208452959
H   -3.3665318574   2.1882457236  -0.7570292695
H   -1.3800161741   1.3678906487  -1.8994072363
H   -0.7055206783   2.3037793232  -0.5841032928
H   -4.5475392473  -1.3653145922   0.5623928690
H   -1.9449754799  -1.9891888770  -1.6058001365
H   -2.7846944911  -2.7185676427  -0.2392530997
H    0.5287353633  -0.5514080363   1.4036974936
H   -0.2148309612   1.0102383709   1.6702488435
H   -1.4315208154  -1.6294530319   1.8471696847
H   -5.7320626230   0.0810059569   2.1094707765
H   -4.0116275443   0.3048418453   2.3960790055
H   -4.9270213324   1.5172715872   1.5036927774
H   -6.6363579065  -0.2374421509  -0.1942392860
H   -5.5659298008  -0.5972231973  -1.5447838579
H   -5.6838671451   1.0481278782  -0.9247946355
H    0.2163151567  -3.1314385246  -2.1097399695
H    2.3549778207  -0.7468094052  -0.4115220803
H    1.0432070576   2.9969842683   1.1986728211
H    4.4137751607   0.3110758793  -1.2073180219
H    3.1011045252   4.0646259986   0.4011181588
H    1.3011234715  -4.1695271292   1.7590664129
*