! 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
Cl   5.2638946700   3.6002333893  -0.0546031969
O   -1.6750236922  -1.2259812851   1.8029355943
N   -1.1811039859  -2.6716925666  -0.7302929667
N   -0.7041418405  -3.3720259177   0.3017190210
N    0.1661405846  -4.1294385758  -1.6082118813
C   -1.8064603468  -0.5993888899   0.5503836273
C   -2.9226260318   0.4731364187   0.6116657346
C   -0.5806677522   0.2884026214   0.2228342273
C   -2.5883749921   1.4247479965  -0.5516510045
C   -1.0877010163   1.2472676063  -0.8509370611
C   -4.3881009689   0.0192949578   0.6186998948
C   -2.1640053224  -1.6242232887  -0.5402977120
C    0.7497253535  -0.3921521310  -0.1026632223
C   -4.7296738667  -0.9300531199   1.7640329621
C   -5.3070808672   1.2389602854   0.6856855510
C    1.8875263753   0.5920394368  -0.1012559992
C   -0.6573925643  -3.1381806040  -1.8633138252
C    2.4743610927   0.9936413902   1.0968635811
C    2.3678909418   1.1475107535  -1.2834688994
C    3.5089945080   1.9158231181   1.1223153465
C    3.4011631877   2.0740867592  -1.2802751362
C    0.1057079406  -4.2304927146  -0.2697424705
C    3.9651067501   2.4505495803  -0.0726289265
H   -2.7473781108   1.0061780692   1.5558225271
H   -0.4243936581   0.8668905291   1.1423769234
H   -2.8295146653   2.4561256922  -0.2957252485
H   -3.1899101412   1.1804820597  -1.4312741070
H   -0.9345026064   0.8234938348  -1.8476949587
H   -0.5470521730   2.1938324169  -0.8356980039
H   -4.6029570360  -0.4914087949  -0.3283740882
H   -2.2989461609  -1.1411123418  -1.5072586794
H   -3.1095104845  -2.1075510760  -0.2900552899
H    0.7059206717  -0.8753095195  -1.0806382792
H    0.9581726556  -1.1713929689   0.6348265682
H   -1.1781320815  -2.0509731581   1.6906154515
H   -4.5183641470  -0.4709454855   2.7327070920
H   -5.7931024302  -1.1774684395   1.7455823444
H   -4.1784989657  -1.8678339958   1.7226742824
H   -5.1129828431   1.8293589833   1.5851421367
H   -6.3548977596   0.9339217518   0.7148762552
H   -5.1898362008   1.8988306510  -0.1746277983
H   -0.8978493604  -2.7312847167  -2.8329974188
H    2.1264294391   0.5744990450   2.0338636708
H    1.9365910534   0.8532410842  -2.2328393644
H    3.9556958271   2.2080911653   2.0632954398
H    3.7606441708   2.4916534116  -2.2112512622
H    0.6655462579  -4.9540932213   0.3019759218
*