! 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   5.8847533155   0.2489900367  -0.2871589281
O   -2.5817863466   0.2039436521   1.7790160853
N   -2.2770097600  -1.8233913924  -0.4054067534
N   -1.4102543481  -2.0753832084  -1.3908136333
N   -1.0839561736  -3.4929918430   0.3158495515
C   -3.0102846313   1.8886535827  -0.0057540099
C   -2.4473990229   0.5037062541   0.4141155176
C   -2.2867763319   2.1292441863  -1.3422279251
C   -0.9927903352   0.6152165160   0.0358274507
C   -0.9161291164   1.4309574615  -1.2251228282
C   -3.0897107780  -0.6311780212  -0.4224558239
C   -2.5793825815   2.9462268833   1.0116537426
C   -4.5270508053   1.9227123969  -0.1466430189
C   -0.0050674400   0.1059299593   0.7727833479
C    1.4268102971   0.1446457379   0.4734561528
C   -2.0554132849  -2.6600998307   0.6078058292
C    1.9360599097   0.1118771627  -0.8266455116
C    2.3406543738   0.1792349406   1.5311208670
C   -0.7249411390  -3.0809151976  -0.9137744047
C    3.3010855500   0.1440146860  -1.0660867693
C    3.7065082377   0.2175786127   1.3094544098
C    4.1773462727   0.2044190966   0.0053728278
H   -2.1889899988   3.1954405611  -1.5498022447
H   -2.8600699163   1.7064116573  -2.1699463670
H   -0.0871906164   2.1403236377  -1.1815249011
H   -0.7336858797   0.7988940013  -2.0968809709
H   -3.2155703307  -0.3534340524  -1.4665977465
H   -4.0801299832  -0.8723751675  -0.0329237149
H   -2.8682495302   3.9363291786   0.6549138040
H   -3.0540446090   2.8003553047   1.9825845869
H   -1.4991807896   2.9596083491   1.1699597190
H   -4.8565386468   2.9239946102  -0.4296193931
H   -4.8955667926   1.2382522266  -0.9119870327
H   -5.0295589550   1.6772624836   0.7925430134
H   -3.5193049934   0.1805174664   2.0037191415
H   -0.2594647757  -0.3796626015   1.7092622673
H   -2.6319641205  -2.6495344230   1.5182332773
H    1.2688109790   0.0317680054  -1.6727720043
H    1.9768293476   0.1846072325   2.5512097652
H    0.0628360644  -3.5468240260  -1.4848496891
H    3.6728217248   0.1113430643  -2.0811281538
H    4.3925776893   0.2554373319   2.1444863431
*