! 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 "WATER"
end
*xyz 0 1
Cl   3.9686613606   3.5752742543   0.9753435978
O   -0.7993101831  -0.1352310834   1.0437010841
N   -1.2563875914  -2.8554205458   0.0169369388
N   -0.1963141035  -2.9576081597   0.8271664092
N   -0.0056281554  -4.3898005396  -0.8839458898
C   -1.7515226132  -0.4177894897   0.0407210372
C   -2.9189495215   0.6018726480   0.2548781843
C   -1.1533321341  -0.2802165568  -1.3851588406
C   -2.2780400162  -1.8559291800   0.2405914005
C   -3.5945277981   0.3977338627   1.6167102174
C   -2.3795318104   2.0377158749   0.2245655501
C   -3.9851610662   0.4611900286  -0.8354627932
C    0.3494551638  -0.5301861527  -1.5529816805
C    1.2461118681   0.4959324507  -0.9133317001
C   -1.1216877181  -3.7051712706  -0.9984214331
C    1.1346865513   1.8462211169  -1.2357556665
C    2.2319777727   0.1207752118  -0.0062028592
C    0.5230819975  -3.8857417912   0.2436351525
C    1.9639256686   2.7974582542  -0.6627344975
C    3.0746951782   1.0555331105   0.5782789424
C    2.9284165936   2.3919642606   0.2466979724
H   -1.3584257811   0.7162431817  -1.7769366121
H   -1.6832639892  -0.9549807037  -2.0630371385
H   -2.6545931623  -1.9964226254   1.2522536358
H   -3.0890176093  -2.0780835408  -0.4493711899
H   -4.1212921031  -0.5543648863   1.6941781596
H   -4.3422351522   1.1773815130   1.7733815561
H   -2.8839845540   0.4586272863   2.4408265556
H   -1.6280365713   2.2138288173   0.9931094413
H   -3.1999212357   2.7358067567   0.4025096405
H   -1.9396859147   2.3097892946  -0.7355640800
H   -4.7770298708   1.1945696218  -0.6718953268
H   -3.5905483724   0.6370614953  -1.8368045383
H   -4.4629284872  -0.5200060890  -0.8335013340
H    0.5434849610  -0.5295919354  -2.6292223771
H    0.6457761572  -1.5226615676  -1.2123339665
H   -0.1994644250  -0.8873064794   1.1367719394
H   -1.8567008947  -3.8050351211  -1.7812701463
H    0.3881558222   2.1733358348  -1.9493347455
H    2.3482486771  -0.9237670893   0.2598127259
H    1.4625453493  -4.2160938069   0.6576958827
H    1.8581159422   3.8412831373  -0.9257991760
H    3.8305915869   0.7415176122   1.2852776136
*