! 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   4.1749557831  -1.7619587458   0.1020418385
O   -1.9176705720   0.5446671066  -1.4353955974
N   -0.5881684464   2.4997388239   0.3821783746
N   -0.4450703168   2.9110637546  -0.8805687178
N    1.1889885202   3.7427596803   0.3935597131
C   -2.4113295910  -2.0764150858  -0.3975455912
C   -1.4087760747  -3.1458465536  -0.1008787133
C   -2.8569702851  -3.3721672963   0.2091608282
C   -2.4799775353  -0.8120716106   0.4317665675
C   -1.5166038534   0.2677035090  -0.1170337499
C   -3.9248006790  -0.3251753775   0.5238316404
C   -1.6257747282   1.5555822711   0.7303864797
C   -0.0804785288  -0.2438218488  -0.0682635167
C    0.5622001648  -0.4443678122   1.1516954339
C    0.6222467760  -0.5293070288  -1.2315716950
C    1.8649365257  -0.9108016495   1.2155764337
C    1.9274864862  -0.9985641148  -1.1883377874
C    0.3969023505   2.9955096525   1.1283822194
C    2.5411404794  -1.1840856593   0.0374975593
C    0.6337444078   3.6529825653  -0.8269830570
H   -2.6631103959  -1.9448501325  -1.4448815133
H   -0.7322087089  -2.9909295104   0.7304145901
H   -0.9667815186  -3.6792774032  -0.9330828627
H   -3.4171790094  -4.0640814717  -0.4073852666
H   -3.1576849214  -3.3680938401   1.2510091655
H   -2.1428275446  -1.0562552909   1.4462511501
H   -4.3083379747  -0.0028376013  -0.4448107007
H   -4.0517536233   0.4989529760   1.2270823268
H   -4.5641188978  -1.1358927488   0.8758804419
H   -1.5370752653   1.3497476435   1.7960545899
H   -2.5928453959   2.0313606586   0.5677695952
H   -1.4672386576   1.3517959412  -1.7301480673
H    0.0516972990  -0.2489916839   2.0871555807
H    0.1568148244  -0.3994122778  -2.1985398044
H    2.3425697257  -1.0568725451   2.1749931554
H    2.4550144593  -1.2140826572  -2.1079057661
H    0.4932745792   2.7934320470   2.1835037210
H    1.0275098990   4.1496249582  -1.7000251955
*