! 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   -3.7053660839   0.6031376289  -0.5956095408
O    2.8445042677  -1.6410401768  -1.6535515420
N    0.7336614159  -1.1767912309  -1.0664726383
C   -3.8535968796   0.8281279566  -2.0012158270
C   -2.5662775463   0.0972465394  -0.0901533575
C   -0.3322351757  -0.8130354674  -0.2279806988
C    2.5816277703  -0.5301671720   0.4118514415
C   -1.4568774956  -0.2644270782  -0.8467559269
C    2.4123440860   0.8289871585   0.6933005129
C   -5.3439446017   0.8635949477  -2.2690471014
C   -3.1682429177   2.1178248688  -2.4161470088
C    2.0705537643  -1.1559661177  -0.8434179652
C   -2.5327370779  -0.0649718407   1.2969423471
C   -0.3130791909  -1.0129858691   1.1457875087
C    3.3119446009  -1.3489327494   1.2691187255
C   -1.4146716165  -0.6155682785   1.8925121034
C    2.9649484564   1.3204975226   1.8744738228
C    1.6710572631   1.7580248042  -0.2223748232
C    3.8344865733  -0.8443656937   2.4477662133
C    3.6552741243   0.4976944523   2.7510227894
H   -3.4257264760  -0.0162368170  -2.5528211970
H   -1.4322583906  -0.1235741705  -1.9191141892
H    0.4738218900  -1.5049971300  -1.9879983910
H   -5.8224871782  -0.0720083892  -1.9772620466
H   -5.8278939708   1.6814037474  -1.7320251431
H   -5.5255147087   1.0095148770  -3.3340171074
H   -2.0988677315   2.1147567034  -2.2012153719
H   -3.6119193970   2.9755042592  -1.9073491406
H   -3.2816551889   2.2693163149  -3.4901791360
H   -3.3891874278   0.2267759117   1.8914625719
H    0.5289797590  -1.4772268496   1.6366018434
H    3.4513805184  -2.3945078180   1.0233866743
H   -1.4028315785  -0.7585522484   2.9652643177
H    2.8538506037   2.3723919548   2.1093518684
H    1.8404924670   1.5347563332  -1.2758050006
H    0.5934806597   1.7157884894  -0.0482247807
H    1.9810250792   2.7892048498  -0.0555069578
H    4.3814674783  -1.4923192925   3.1198671512
H    4.0633202613   0.9081043486   3.6657719912
*