! 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   5.3708202569   2.2791702879   0.1129855109
O   -2.6373999441  -0.8044526487   1.7831926002
N   -1.1957534922  -2.5058324470  -0.1725312654
N   -0.9604982857  -2.9668879685   1.0589752959
N    0.6201537517  -3.6836259842  -0.3461572048
C   -2.3716996570  -0.3982596684   0.4531610977
C   -3.5815705654   0.5096967672   0.0420313618
C   -1.0010431208   0.3132999303   0.4734555540
C   -2.3215277663  -1.6414220221  -0.4618002955
C   -3.4725125766   1.8792864309   0.7194732396
C   -3.6781052592   0.7246219298  -1.4737514808
C   -4.9062660296  -0.1259525457   0.4903658248
C   -0.3951775826   0.8198320602  -0.8392873918
C    1.0475428393   1.1945210431  -0.6394667427
C   -0.2454962122  -2.9418494368  -0.9994655107
C    1.4145991040   2.5026606489  -0.3388439130
C    2.0499571724   0.2289089666  -0.6990515714
C    0.1390400854  -3.6648675514   0.9088674078
C    2.7385700172   2.8461870741  -0.1055577534
C    3.3784635099   0.5508671299  -0.4700550770
C    3.7120281513   1.8631093420  -0.1734751627
H   -0.2834741155  -0.3808388421   0.9225075264
H   -1.0566309672   1.1453496035   1.1784929337
H   -3.2387322981  -2.2235563413  -0.3628560203
H   -2.2238346756  -1.3647810562  -1.5090404142
H   -2.6525379773   2.4809930163   0.3230198168
H   -3.3384104546   1.7954298407   1.7990295208
H   -4.3900284027   2.4474545416   0.5510262533
H   -4.4529458084   1.4645277605  -1.6844989322
H   -3.9649060459  -0.1824687615  -2.0089040292
H   -2.7590168870   1.0974590674  -1.9232454322
H   -5.7396550177   0.4591119638   0.0951260306
H   -5.0370452339  -1.1448067657   0.1207502798
H   -5.0140605992  -0.1500577718   1.5736098575
H   -0.9425462832   1.6894128677  -1.2054553172
H   -0.4627234993   0.0615784504  -1.6234665393
H   -2.0042709432  -1.4960121351   2.0257814246
H   -0.2260525744  -2.7035405889  -2.0517730437
H    0.6570808074   3.2756386956  -0.2857992831
H    1.7992974100  -0.7999419833  -0.9305475368
H    0.6074236973  -4.1764671638   1.7351736141
H    3.0032320069   3.8694938080   0.1244304223
H    4.1412618812  -0.2142055826  -0.5250247273
*