! 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    1.9818173171   1.5301556281   0.5108872019
O   -0.6455249454   2.6708289404   0.8165023656
N    1.9402176068  -0.6508880535  -0.1669994934
N   -0.0136862316   0.4975590846   0.1523047283
N   -2.1031450123   0.9610307292   0.2594689530
N   -0.6956240954  -0.6348623829  -0.2118399758
N   -3.3033789754   1.6064551552   0.4384430678
C    3.3788306334  -0.9411033478  -0.2284797504
C   -3.0450550264  -1.2896801311  -0.4587248203
C   -1.9445865274  -0.3358808499  -0.1412211731
C    3.4870803680  -2.3959366157  -0.6769719686
C    4.0707517310  -0.0439692957  -1.2533347387
C    4.0235080521  -0.7876619738   1.1480641775
C    1.3983250460   0.5168930100   0.1849750102
C   -0.8626950461   1.5355747996   0.4598812063
C   -3.9183771738  -1.5760499256   0.7619455212
C   -3.8728968562  -0.8225458196  -1.6550074973
H   -2.5368838307  -2.2159865481  -0.7380253458
H    1.3038105302  -1.3959021926  -0.4107117979
H    3.0341630974  -2.5473224200  -1.6591492605
H    4.5333779981  -2.6926596262  -0.7474767803
H    2.9991225248  -3.0699606623   0.0302479931
H    4.0252752236   1.0076498011  -0.9749942960
H    3.6179977108  -0.1559867648  -2.2400438856
H    5.1238754118  -0.3166365640  -1.3382800412
H    3.5368129297  -1.4323222570   1.8820227779
H    5.0757114857  -1.0727053346   1.1015633428
H    3.9769760237   0.2378407156   1.5106811787
H   -4.4696177709  -0.6928100115   1.0811211998
H   -3.3267153248  -1.9350620297   1.6049022035
H   -4.6445018303  -2.3521547547   0.5174079115
H   -3.2487511727  -0.6451889592  -2.5316317630
H   -4.4230527255   0.0912211998  -1.4348317059
H   -4.5981442693  -1.5925990456  -1.9200980402
H   -3.3722980826   1.9275300042   1.3967309038
H   -3.3460185412   2.4124267155  -0.1738323193
*