! 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    3.8982054023   1.0945140956  -0.8910374359
O    1.3748044056   1.8611423183   0.6833790413
O    3.5271621711  -0.2158432077   0.8769232912
N    0.7814051625  -0.1914306501   0.0068611567
C    1.9131238470  -0.1664157824  -0.9199706557
C   -0.1979533799  -1.2259212494  -0.0758114588
C   -1.1424540069  -1.1734483465  -1.1087302808
C   -0.1945744460  -2.2654037957   0.8586947459
C    0.5944463803   0.9218019876   0.7609081130
C   -0.6085145065   0.9816741468   1.6794683516
C    2.1829663692  -1.5258319018  -1.5541325028
C    3.1741701143   0.2511656437  -0.1763925064
C   -2.1023039163  -2.1754505326  -1.1808336079
C   -1.1795902319  -3.2458869322   0.7574165518
C   -1.8462234983   1.4176173646   0.9336397802
C   -1.1356246650  -0.0765919613  -2.1293431931
C    0.8040517464  -2.3434718500   1.9746027256
C   -2.1256795010  -3.2029259235  -0.2515074095
C   -1.8820990645   2.6497273353   0.2828988587
C   -2.9632746498   0.5923338391   0.8680936597
C   -3.0085136727   3.0413571779  -0.4253268767
C   -4.0933077117   0.9846885712   0.1642881052
C   -4.1178461787   2.2083714567  -0.4888830397
C    5.1400772099   1.5249426231  -0.3350214954
H    1.7228052143   0.5607709117  -1.7149267618
H   -0.3681473022   1.7045066437   2.4608461749
H   -0.7886221646   0.0258966263   2.1704600866
H    3.0622985820  -1.4550900304  -2.1955753569
H    2.3722725082  -2.2953421017  -0.8059606374
H    1.3563219658  -1.8514660541  -2.1835463591
H   -2.8463457249  -2.1432307433  -1.9674008226
H   -1.1974899401  -4.0542275935   1.4788510991
H   -2.1159290383   0.0232179927  -2.5932137960
H   -0.8759992164   0.8926118686  -1.7068052097
H   -0.4225254222  -0.2839371917  -2.9319568137
H    1.1366597001  -3.3716418119   2.1205644598
H    1.6835742238  -1.7289558306   1.8005637450
H    0.3606762412  -2.0205471335   2.9199829077
H   -2.8839953489  -3.9729861553  -0.3152182734
H   -1.0238989087   3.3099944649   0.3255490457
H   -2.9493203776  -0.3701509830   1.3654049635
H   -3.0198026096   4.0004516417  -0.9275574737
H   -4.9532425873   0.3284403289   0.1215651670
H   -4.9971352839   2.5134454527  -1.0417368176
H    5.8215891989   0.6899740600  -0.1709117737
H    4.9883848816   2.0574417324   0.6043003867
H    5.5748373012   2.2038917597  -1.0636712922
*