! 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   5.2689009738   0.2047364759  -0.5967618047
O   -1.2300811404   0.0384047648  -1.4961778270
N   -0.2746336382   1.5753022270   0.8156602962
N    0.5926824119   1.7874910935  -0.1810737942
N    1.5996954972   2.0758082745   1.7969428480
C   -1.8109448229  -0.0899556099  -0.2162238793
C   -3.3008618826  -0.4383178300  -0.4235231466
C   -1.2614878857  -1.2872634574   0.6371332328
C   -3.6883740086  -1.1702568803   0.8539074789
C   -2.5012119673  -2.1003322465   1.0586879175
C   -4.2468760470   0.6685590153  -0.9185861134
C   -1.6555133337   1.2289656396   0.5536817962
C   -0.2382081303  -2.1809235863  -0.0677661397
C   -4.8994804119   1.4922836939   0.1899712420
C   -5.3413039950   0.0572016089  -1.7913683960
C    1.1350797023  -1.5875247501  -0.2193903341
C    0.3435456752   1.7399923112   1.9828994793
C    1.9094032856  -1.3222371199   0.9082878433
C    1.6817919208  -1.3059141997  -1.4681459534
C    3.1813328731  -0.7843739617   0.8026726873
C    2.9535140326  -0.7654962196  -1.5964209137
C    1.7002504243   2.0735824051   0.4571153943
C    3.6914240603  -0.5056336798  -0.4548986827
H   -3.2738325361  -1.2027655109  -1.2124180366
H   -0.7909662403  -0.8939770862   1.5438240258
H   -4.6341463975  -1.7066501492   0.7632309636
H   -3.7911563994  -0.4802907441   1.6962714184
H   -2.4126621317  -2.4772162021   2.0778036537
H   -2.6120434932  -2.9706820112   0.4055735727
H   -3.6694759767   1.3482029213  -1.5556956144
H   -2.1499129376   1.1733752516   1.5220870594
H   -2.1020868009   2.0535058626  -0.0032467006
H   -0.6246436580  -2.4934216486  -1.0400467046
H   -0.1500578127  -3.0946049434   0.5278295360
H   -0.3695770229   0.4756064707  -1.4124148034
H   -5.5766960526   0.8829359520   0.7918838917
H   -5.4938311228   2.2988775400  -0.2430023457
H   -4.1869810246   1.9552991051   0.8720543109
H   -5.9349746773  -0.6692056310  -1.2309209882
H   -4.9232276894  -0.4574723385  -2.6579385281
H   -6.0272008551   0.8215466891  -2.1609345857
H   -0.1578656346   1.6259912007   2.9312032702
H    1.5174538632  -1.5367885911   1.8957190961
H    1.1109773167  -1.5118710874  -2.3651639025
H    3.7610683555  -0.5777987267   1.6918977454
H    3.3568085132  -0.5490358117  -2.5764492284
H    2.6107385595   2.3083009416  -0.0707093433
*