! 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   4.7101127015   0.5012330561  -1.1250834310
N   -3.4727472698   0.4265547062   0.0003634731
N   -3.4432948375   1.7507109256   0.1777880620
N   -4.2119894377   1.2531367877  -1.8700111609
N   -1.6124373825  -2.4843253046  -1.4229427102
C   -1.4584053414  -0.8920720768   0.6449861711
C   -0.9254073280  -1.7289769879   1.8344178883
C   -2.9175339132  -0.4795150472   0.9726254638
C   -0.6130352050   0.3447247185   0.3627025874
C    0.3015480520  -2.5984559295   1.5480209831
C    1.4529656993  -1.8742037642   0.9071048684
C   -1.5218953467  -1.7633252582  -0.5295061178
C   -0.0183518797   0.5792483734  -0.8685759772
C   -0.4483829927   1.2847294209   1.3768526223
C    2.1000898030  -0.8336337555   1.5703068840
C    1.8685025195  -2.1928565889  -0.3801213477
C    0.7547605660   1.7140263076  -1.0746187490
C    0.3143438488   2.4206744563   1.1703298341
C   -3.9238198186   0.1497360999  -1.2265726107
C    0.9261181425   2.6374670477  -0.0570896130
C    3.1042475875  -0.1056618502   0.9578906358
C    2.8797092694  -1.4801255480  -1.0102622731
C   -3.8968858288   2.1974781104  -0.9622463054
C    3.4788792552  -0.4319084131  -0.3366937669
H   -1.7266416662  -2.3854256410   2.1811214969
H   -0.7202480198  -1.0393035208   2.6538432839
H   -3.5495871003  -1.3641649869   1.0392991354
H   -2.9434159050   0.0134222199   1.9419260397
H    0.0101575086  -3.4430565942   0.9205877200
H    0.6148966330  -3.0285570794   2.5023132442
H   -0.1284010630  -0.1279102334  -1.6803626774
H   -0.9105690798   1.1387191104   2.3452961850
H    1.8045970534  -0.5675051458   2.5777762235
H    1.3857711653  -2.9995765811  -0.9179093237
H    1.2272492439   1.8675225876  -2.0356179720
H    0.4336166379   3.1371509307   1.9725620938
H   -4.0526385353  -0.8550211963  -1.5965519805
H    1.5313345222   3.5200365216  -0.2170586355
H    3.5806524219   0.7124194914   1.4800465989
H    3.1806700266  -1.7347953736  -2.0174452704
H   -4.0116491981   3.2535885463  -1.1480739473
*