! 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
O    1.1327251468   0.7155056514  -1.3219335550
N    0.7215965467  -1.9612013747  -0.4508011970
N    0.4938106923  -2.7263235598   0.6197070347
N   -1.2967301490  -2.7128627319  -0.7228830147
C    3.4614179886   0.7394821228  -0.4681076059
C    2.0090496402   0.1723499228  -0.3757886640
C    4.0835053128   0.2515693104   0.8455556171
C    1.6666637726   0.4061297134   1.0847283933
C    2.9499367576   0.3055230133   1.8806791326
C    2.0045208453  -1.3362804584  -0.6686134512
C    3.4020329783   2.2702010271  -0.4699820555
C    4.2350136241   0.2782588952  -1.6955910619
C    0.4913637304   0.6558016555   1.6591144212
C   -0.3557240023  -1.9602107401  -1.2403637457
C   -0.7263197195  -3.1544937321   0.4146065755
H    4.9416039117   0.8596847800   1.1358082734
H    4.4567602939  -0.7690465247   0.7327039086
H    3.0516979380   1.1650048170   2.5455039297
H    2.9480010424  -0.5789764416   2.5213828129
H    2.7206104890  -1.8680170439  -0.0460982277
H    2.2874723915  -1.5029387589  -1.7084451550
H    2.8213533737   2.6778200534   0.3615749304
H    4.4094220795   2.6810146177  -0.3843848082
H    2.9828100979   2.6674702599  -1.3971033209
H    5.2086728001   0.7710044630  -1.7340597458
H    4.4275289836  -0.7956676937  -1.6958905654
H    3.7100932296   0.5274579949  -2.6203757951
H    1.0104446755   1.6536504334  -1.1503485413
H   -0.4048910949  -1.4168449243  -2.1698484653
H   -1.2225129992  -3.8126269117   1.1113264817
C   -0.8526032592   0.7802046880   1.0594916263
C   -3.4419244336   0.9872654098   0.0505567900
C   -1.2159982802   1.8385911425   0.2291134299
C   -1.8359826969  -0.1433952023   1.4082187089
C   -3.1226802372  -0.0563320548   0.9025578569
C   -2.4993530999   1.9463301088  -0.2831828902
H   -0.5029267340   2.6205895574  -0.0007857162
H   -1.5928008824  -0.9544148856   2.0822098677
H   -3.8631840047  -0.7970314448   1.1724027595
H   -2.7587136445   2.7757361919  -0.9272761323
Cl  -5.0486863304   1.1075340212  -0.5920423517
H    0.4998442565   0.7443571727   2.7443712255
*