! 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   5.3252342604  -3.0814960482   0.6412942698
O   -1.9662894501   1.2725489250  -1.6985461705
N   -0.8787931396   2.5439380286   0.7647407425
N   -0.4588375447   3.2712887191  -0.2752355056
N    0.9929677220   3.4303928850   1.4150061021
C   -1.9652452620   0.6657990491  -0.4264326289
C   -3.1644657625  -0.3187934131  -0.3670947654
C   -0.6988908797  -0.2266918320  -0.1562384032
C   -2.6416335309  -1.4846633920   0.4697271731
C   -1.2226864312  -1.6592252577  -0.0463475635
C   -4.5290323579   0.2419353062   0.0566532907
C   -2.0759973882   1.7351987066   0.6735508896
C    0.4364335750  -0.0560174200  -1.1680985560
C   -5.5462972322  -0.8847584024   0.2293457956
C   -5.0774107322   1.2607162012  -0.9404627611
C    1.6683363274  -0.8062364973  -0.7428224710
C   -0.0032584306   2.6469040779   1.7639461157
C    1.9677001490  -2.0639412885  -1.2579922950
C    2.5324901590  -0.2677640697   0.2091979751
C    3.0865156335  -2.7707698423  -0.8398118766
C    3.6552151802  -0.9566581782   0.6407462044
C    0.6664641032   3.7858000125   0.1603251040
C    3.9220340542  -2.2094638323   0.1111294388
H   -3.2763458451  -0.6966324541  -1.3929827048
H   -0.2996157604   0.0381567547   0.8292693584
H   -3.2422286919  -2.3868577279   0.3555441038
H   -2.6376998194  -1.2313380021   1.5358695090
H   -0.5998074970  -2.2841837518   0.5947979057
H   -1.2509000290  -2.1344981591  -1.0322784943
H   -4.4292813235   0.7312407565   1.0325834520
H   -2.2156478886   1.2691796847   1.6482746654
H   -2.9202249785   2.4013731464   0.4973084949
H    0.6929393665   1.0002895050  -1.2807334713
H    0.1124878184  -0.4056178447  -2.1507724956
H   -1.3726058745   2.0374728551  -1.6862268233
H   -5.6390565361  -1.4802455823  -0.6826495417
H   -6.5344051283  -0.4795347970   0.4560801437
H   -5.2828339242  -1.5609481820   1.0430080085
H   -4.4105652952   2.1054571216  -1.1076766658
H   -6.0299658854   1.6634173650  -0.5905545028
H   -5.2580979726   0.7947259812  -1.9127551272
H   -0.1321013033   2.1431041594   2.7088798464
H    1.3225299535  -2.5076876935  -2.0064078903
H    2.3387795994   0.7155974574   0.6230272434
H    3.3004556913  -3.7459619375  -1.2561445393
H    4.3134522098  -0.5165799370   1.3777322979
H    1.2692994682   4.4381534789  -0.4515912329
*