! 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   6.2286027150   1.0534755116  -0.2430922291
O   -2.1782883748  -0.8703823024  -1.4742788337
N   -2.7188050535   1.3918088182   0.3167519021
N   -2.9166877273   1.7328326791  -0.9614056748
N   -2.6481700941   3.5654206771   0.2920556828
C   -1.7746004297  -0.9128597400  -0.1217652129
C   -1.9611256570  -2.3591142778   0.4640901994
C   -0.2453469841  -0.6427265630  -0.0031165063
C   -0.5444275509  -2.8700704180   0.7420456677
C    0.2384714529  -1.6100601251   1.0678252270
C   -2.8407540256  -3.3156579676  -0.3487266507
C   -2.6570904436   0.0053333059   0.7410924464
C    0.2261821281   0.8011299584   0.1851336108
C   -2.7745401060  -4.7255380691   0.2360446583
C   -4.2996700728  -2.8701521014  -0.3975220372
C    1.7234447917   0.8978239085   0.0883434904
C   -2.5570016180   2.4923101119   1.0451764785
C    2.3514230981   0.8794957490  -1.1551362098
C    2.5217059634   0.9694587204   1.2258492506
C    3.7321305106   0.9276799479  -1.2681058483
C    3.9058761644   1.0180292286   1.1353806090
C   -2.8591942367   3.0415227562  -0.9257760179
C    4.4995528089   0.9946913398  -0.1155312546
H   -2.4460057056  -2.2493865656   1.4443140692
H    0.1693035487  -0.9959104446  -0.9552429354
H   -0.1227077239  -3.3453621696  -0.1500286603
H   -0.5212710448  -3.6089473544   1.5431299562
H   -0.0164128374  -1.2421732654   2.0682549194
H    1.3189365173  -1.7570619742   1.0445247304
H   -2.4544709569  -3.3645004348  -1.3716003692
H   -2.2992812975   0.0084415968   1.7702097409
H   -3.6742278017  -0.3902032876   0.7584850985
H   -0.0908800253   1.1825640188   1.1585268977
H   -0.2136316094   1.4463600386  -0.5797685199
H   -2.3885583286   0.0486079468  -1.7047871163
H   -3.4296046046  -5.4011539689  -0.3174543376
H   -1.7703868280  -5.1483563597   0.1967142619
H   -3.0996232220  -4.7382888547   1.2796870659
H   -4.7263516100  -2.8236130365   0.6082449914
H   -4.9001096752  -3.5808089842  -0.9690566381
H   -4.4287017557  -1.8936563553  -0.8609457896
H   -2.3862510927   2.4697679237   2.1097321721
H    1.7543091186   0.8300078551  -2.0580139599
H    2.0610450162   0.9885349360   2.2060459734
H    4.2000524356   0.9156766360  -2.2430616526
H    4.5088382989   1.0738470530   2.0314288193
H   -2.9796627237   3.6360636736  -1.8174031919
*