! 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   4.9331733070   3.7752431037  -0.1659219190
O   -2.1606269977  -1.0256923314   1.5132990192
N   -1.4452288919  -2.7970157642  -0.4756333103
N   -0.3054918958  -3.1782958452  -1.0590658191
N   -0.9596821430  -4.7097302628   0.4331713886
C   -2.1108066187  -0.4553078255   0.2233046004
C   -3.4149775086   0.4042797326   0.0798681882
C   -0.8556623269   0.4220724472   0.0759085591
C   -2.1376345492  -1.5824313613  -0.8522942586
C   -3.3649706176   1.6322920530   0.9962946796
C   -3.6054324962   0.8872552809  -1.3619133495
C   -4.6512658135  -0.4111836262   0.4854872210
C    0.5008144856  -0.2881293349   0.1690096732
C    1.6216106358   0.7104539216   0.0932160211
C   -1.8266290372  -3.7251594888   0.4064809655
C    2.2293993586   1.0055788824  -1.1236480693
C    2.0558160323   1.3920007500   1.2272832674
C   -0.0486718041  -4.3230990668  -0.4802309354
C    3.2451973764   1.9459051780  -1.2146147715
C    3.0694494638   2.3356763998   1.1580910458
C    3.6581362497   2.6040648907  -0.0677126001
H   -0.8799967888   1.1899566743   0.8516132848
H   -0.8950441884   0.9502515579  -0.8793405979
H   -3.1628423976  -1.8685551831  -1.0796346206
H   -1.6933972303  -1.2434716866  -1.7863424250
H   -4.3360631432   2.1313948664   0.9923371955
H   -2.6326178561   2.3731850717   0.6740547519
H   -3.1434953681   1.3629530233   2.0299099411
H   -2.7653049317   1.4837868260  -1.7210200020
H   -4.4921043353   1.5216612571  -1.4232269050
H   -3.7583281586   0.0708437959  -2.0699801657
H   -4.6234183236  -0.7115211634   1.5324958075
H   -5.5470130143   0.1980077130   0.3482635553
H   -4.7967346343  -1.3115364673  -0.1140620216
H    0.6167065779  -1.0167193029  -0.6327201868
H    0.5919962070  -0.8435404984   1.1078830659
H   -1.2719232762  -1.2411633462   1.8124565426
H   -2.7317649034  -3.6530295071   0.9874727498
H    1.9116210236   0.4906907738  -2.0225674936
H    1.6026300863   1.1825265097   2.1891789248
H    0.8252014530  -4.9042443632  -0.7314156160
H    3.7091144663   2.1557709675  -2.1690660346
H    3.3969656206   2.8500886462   2.0515998066
*