! 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  -6.4225818145   4.7323006675   0.5252725378
O    1.8137187308   1.0485304969   0.1625348896
O    1.3223230509  -2.9278581377   1.1763973667
N    2.3142295048  -1.1519796756   0.1671500018
N    3.1312350763  -3.3298276597  -0.1329181955
N    4.0492549951  -4.6572895871  -1.6288287954
C    1.2791056249  -0.1716323024   0.6149001128
C    3.5099828385  -0.4396432352  -0.3600006021
C    3.2129541999   0.9444835637   0.2176231777
C   -0.0447947081  -0.3985872835  -0.1108782617
C    1.1291536665  -0.1394750556   2.1351385163
C    4.8435877270  -0.9418864859   0.1735998648
C    3.5185385029  -0.3699462918  -1.8837052124
C   -1.0950630827   0.6715465091   0.1703392981
C    2.1800051915  -2.4477562701   0.4657336406
C   -2.3561033394   0.4524585917  -0.6682710210
C   -3.3941818499   1.5030540753  -0.3951878692
C    3.9534089973  -4.1836922457   0.5596441000
C    3.2151283883  -3.6754001683  -1.4453826587
C   -4.3684173860   1.3140177524   0.5814581635
C   -3.3774561174   2.7171824764  -1.0777372046
C    4.5277696894  -4.9742040462  -0.3864776905
C   -5.3020663291   2.2982149462   0.8718441637
C   -4.3010433211   3.7144146731  -0.8025843417
C   -5.2588808955   3.4944799506   0.1744769872
H    3.5904919563   1.0343312912   1.2452524899
H    3.6544710150   1.7462830198  -0.3752191086
H   -0.4453358133  -1.3737583986   0.1704545883
H    0.1586883234  -0.4370802627  -1.1855388789
H    2.0960613473  -0.1440764292   2.6395543899
H    0.5538296849  -0.9805063971   2.5112585851
H    0.6136414514   0.7756877342   2.4264725711
H    5.2034847338  -1.8345311991  -0.3336039234
H    4.8098474154  -1.1375704415   1.2458814729
H    5.5931214995  -0.1649290265   0.0094016134
H    2.5726541800   0.0003740273  -2.2799670313
H    4.3070431645   0.3083405636  -2.2134249302
H    3.7237531985  -1.3356097175  -2.3401101254
H   -1.3717953856   0.6655542293   1.2280322567
H   -0.6953140300   1.6661838519  -0.0421333189
H   -2.7659781199  -0.5387231096  -0.4570784489
H   -2.0914968610   0.4612718542  -1.7291598663
H    4.0722145141  -4.1301843395   1.6285479349
H    2.6123690010  -3.2021630228  -2.2040157727
H   -4.4076383791   0.3795676343   1.1287205267
H   -2.6332641504   2.8930667775  -1.8456914791
H    5.2583721204  -5.7539856063  -0.2383892774
H   -6.0531905918   2.1286519171   1.6316760806
H   -4.2726869882   4.6484515186  -1.3476739136
*