! 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   -3.5589327017   0.5398366028  -1.0594398332
O    2.3417172812   0.8366084404   2.7045934501
N    0.4372648816   0.3918373967   1.6120635340
C   -3.9930173115   1.7841989475  -0.5025812504
C   -2.4422808282  -0.0669446349  -0.6182780303
C   -0.4073221873  -0.2225334666   0.6730301958
C    2.5824210706  -0.3289634495   0.6657475930
C   -1.5454959639   0.4881790546   0.2880713853
C    2.6153066609   0.1475702308  -0.6483827962
C   -4.9740829623   2.3697281564  -1.4964813672
C   -4.6246558296   1.5753335843   0.8623587285
C    1.7870116416   0.3429430586   1.7356021691
C   -2.1851544280  -1.3303583923  -1.1539029123
C   -0.1679529741  -1.4932967958   0.1679813326
C    3.3599613781  -1.4192962164   1.0474414293
C   -1.0573244807  -2.0223525859  -0.7581429975
C    3.4176187698  -0.5301302108  -1.5642519087
C    1.8296989966   1.3457457867  -1.0938134889
C    4.1349256362  -2.0897574498   0.1166850684
C    4.1581762529  -1.6429375696  -1.1968272139
H   -3.1397845043   2.4659159432  -0.4188502829
H   -1.6971772011   1.4765245447   0.7013661780
H   -0.0212772027   0.9672613147   2.3063635497
H   -4.5100314227   2.5253986593  -2.4712285459
H   -5.8438608088   1.7229498340  -1.6269902198
H   -5.3288403237   3.3373275828  -1.1415019323
H   -3.9379374549   1.1282240177   1.5823203287
H   -5.5030592065   0.9311591565   0.7891555171
H   -4.9449681299   2.5330862152   1.2741211568
H   -2.8766721595  -1.7593426273  -1.8680730352
H    0.6815565563  -2.0758387884   0.4916066849
H    3.3381736422  -1.7605575371   2.0751485624
H   -0.8719764536  -3.0086777764  -1.1626164140
H    3.4635582051  -0.1744858633  -2.5867512664
H    2.2875390745   1.8007703909  -1.9717551759
H    0.8084045884   1.0753194301  -1.3706108255
H    1.7659950948   2.1171802147  -0.3262982234
H    4.7197669670  -2.9496528385   0.4158665041
H    4.7634800255  -2.1535553645  -1.9344324479
*