! 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    0.4642384888  -1.7217065090   0.4938992687
O   -2.5000387327   0.1770072283  -1.5600421081
O    0.3134308673  -0.7826883253  -1.5255352199
O   -0.4459731339   3.8327920369  -0.7937996390
N   -0.2061655485   1.6594666716  -0.1777052536
N    1.5354765084   2.8414288222  -1.2413177909
N    3.4664795576   3.7435879453  -1.7941196597
C    0.6752614798   0.6390482421   0.3802405839
C    0.6250896187   0.5938585272   1.9094805974
C   -1.6181922109   1.5823391057   0.2070231743
C    0.4390346376  -0.6958135764  -0.3296267124
C    0.2186465419   2.8218091129  -0.7213955685
C    0.9076505117   1.9512253500   2.5338699994
C   -2.2570991803   0.3225201658  -0.2395808929
C    0.2510552545  -3.0406024386  -0.0358778576
C   -0.2855744585  -3.9214095746   1.0687087262
C   -2.6642996890  -0.7853928598   0.4271913080
C    0.6504604111  -4.0871110255   2.2557317584
C    2.1736935734   1.9277405098  -2.0546524334
C    2.3615714373   3.9232236480  -1.1389527674
C   -3.1821207787  -1.6787280558  -0.5575935784
C   -3.0470588451  -1.0391933013  -1.7425358086
C    3.3568031111   2.5080084184  -2.3793639999
C    0.1392103770  -4.9782248405   3.3444969012
C   -1.0305835516  -5.6071038565   3.3750601541
H    1.7038928342   0.9021555124   0.1214959176
H   -0.3258683633   0.1984019626   2.2717490348
H    1.3893193522  -0.1106801788   2.2393890041
H   -2.1364922066   2.4396001167  -0.2177671946
H   -1.7242721159   1.6639428696   1.2903499787
H    0.1294873985   2.6862892491   2.3228308512
H    0.9727609506   1.8603978713   3.6181779634
H    1.8571092522   2.3637521402   2.1863182110
H    1.2005759194  -3.4173402430  -0.4253843510
H   -0.4613920494  -3.0011402710  -0.8605124409
H   -0.4858980194  -4.8966204001   0.6161388599
H   -1.2530703656  -3.5321131107   1.3982454103
H   -2.5984688052  -0.9497696444   1.4910464165
H    0.8807425865  -3.1128143571   2.6990544916
H    1.6158856607  -4.4780715826   1.9143846290
H    1.7254663118   0.9943490102  -2.3484019737
H    2.0992629702   4.7919601157  -0.5556978062
H   -3.5963340107  -2.6615376947  -0.4011800786
H   -3.2990836534  -1.3111908519  -2.7552382370
H    4.1342975193   2.1070096502  -3.0104109519
H    0.8138494735  -5.1021353282   4.1870655695
H   -1.3067334525  -6.2284332674   4.2178498660
H   -1.7599585659  -5.5366057859   2.5771425934
*