! 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   1.1817495241  -0.4729279141  -2.4259365069
Cl   5.7370077868  -0.4065978485   0.3364449509
O   -0.9518323110  -0.5810782364  -0.3988596420
O   -0.7151848338   0.5105524446   1.5487950726
N   -1.9588113658   2.0888913857  -0.4019320098
N   -2.8264460273   1.6616732905  -1.3217719911
N   -3.8988301522   2.7272404262   0.3286778635
C   -0.2513326177   0.4417488465   0.2261559423
C   -1.5017711374  -1.4408812678   0.5901713970
C   -1.7007235946  -0.4873177260   1.7584620212
C   -2.7737204911  -2.0680019962   0.0609491588
C   -0.5567349712   1.7776945133  -0.4702271029
C    1.2569088267   0.1984581562   0.2283880361
C   -3.4557454454  -2.9669120979   1.0860170560
C    1.9640085085  -0.2037670103  -0.9038627280
C    1.9914381180   0.4241293750   1.3891518745
C   -4.7249097779  -3.5995380205   0.5356444146
C    3.3375475452  -0.3973902041  -0.8781554885
C    3.3633541676   0.2462407994   1.4406864477
C   -2.6125664629   2.7173940555   0.5791678880
C    4.0257483070  -0.1706100571   0.3002328943
C   -3.9740532543   2.0688901168  -0.8452380227
H   -0.7757528265  -2.2220086287   0.8534162245
H   -2.7023084181  -0.0411997659   1.7528811508
H   -1.5358716760  -0.9557246917   2.7290518237
H   -2.5399172116  -2.6509245383  -0.8343287059
H   -3.4563089261  -1.2700257335  -0.2482400465
H   -0.2559955466   1.7570503808  -1.5148095573
H    0.0004822144   2.5735377758   0.0218714836
H   -3.7039785009  -2.3915475827   1.9831834811
H   -2.7638560116  -3.7510404163   1.4068746290
H    1.4846787219   0.7489504543   2.2862093383
H   -4.5150043605  -4.2122776370  -0.3431060227
H   -5.2040490286  -4.2404675523   1.2766637891
H   -5.4505931286  -2.8391196838   0.2406849545
H    3.8588036648  -0.7184262336  -1.7692794147
H    3.8996935556   0.4320528579   2.3606424762
H   -2.1153647507   3.1511885244   1.4318365638
H   -4.9021418432   1.8891429496  -1.3652961342
*