! 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  -5.5374042671   3.2199682029   1.9044648652
O    1.9795517676   1.1271966850   1.1152257131
O    3.8006007850  -2.2681529364  -1.1289778541
N    2.5424041514  -0.6136170275  -0.2182755695
N    1.6796510212  -2.7848646572  -0.5093552055
N   -0.1060766898  -3.9356879738  -1.0870423884
C    1.5167871875  -0.1599201153   0.7712455443
C    3.5819599252   0.4245644624  -0.4112370838
C    2.8116982781   1.6345969300   0.1016852944
C    0.0902177691  -0.0687394375   0.2185914693
C    1.5344253795  -0.9903264581   2.0469427359
C    4.8098286956   0.1691366715   0.4612189383
C    3.9656905642   0.6265254587  -1.8693563049
C   -0.0868702703   0.6416162934  -1.1163623122
C    2.7699071384  -1.8651791328  -0.6362872295
C   -1.5111830880   0.5120055481  -1.6651460976
C   -2.5387498227   1.1742327100  -0.7912006807
C    1.7229463121  -3.9560811528   0.2084264624
C    0.5674637149  -2.8422534538  -1.2913526458
C   -3.3604759323   0.4359886543   0.0550304399
C   -2.6683016557   2.5618694854  -0.7848204688
C    0.5990763055  -4.6351224041  -0.1447843716
C   -4.2836866195   1.0539838120   0.8872128262
C   -3.5840339242   3.1985800746   0.0376596762
C   -4.3861542557   2.4346402124   0.8716325201
H    3.4704173314   2.3888007133   0.5340531247
H    2.2364633095   2.1100441523  -0.7008779639
H   -0.4921719478   0.4452741228   0.9882730159
H   -0.3394044202  -1.0706234829   0.1640420480
H    1.0751360660  -1.9670220605   1.9117121218
H    0.9635158339  -0.4736038720   2.8193249932
H    2.5507144616  -1.1313507140   2.4159942135
H    5.3150166994  -0.7568037646   0.1953398505
H    4.5502761614   0.1268836123   1.5199299796
H    5.5250303087   0.9827187922   0.3308065441
H    4.6231615906  -0.1538619379  -2.2448063810
H    3.0844565055   0.6765116231  -2.5107608314
H    4.4956284488   1.5760586479  -1.9657815758
H    0.1560129569   1.7024838919  -1.0205541102
H    0.6033945383   0.2375473136  -1.8622392942
H   -1.7606699683  -0.5450376737  -1.7921781464
H   -1.5392470699   0.9568543134  -2.6625548252
H    2.5156023513  -4.1788674250   0.9030138481
H    0.3248871495  -2.0687496256  -2.0035684192
H   -3.2883077126  -0.6449854843   0.0694553724
H   -2.0469814673   3.1643834632  -1.4372692594
H    0.2612132823  -5.5889396457   0.2290166388
H   -4.9135676769   0.4601908422   1.5358923585
H   -3.6712904256   4.2767230176   0.0236329386
*