! 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   5.0881503052  -2.6412803168  -0.3231684365
N   -3.5357184974   0.2438536404  -0.2063400529
N   -4.1163706601   0.3639778116   0.9933196769
N   -4.8146247624   1.9928508877  -0.3841143018
N    0.3117098956  -2.2591019473  -1.1062491862
C   -1.0975535030  -0.3377125891  -0.0270265143
C   -0.9801619935  -0.4092461187   1.5123364824
C   -2.5344144651  -0.7468783049  -0.4867700030
C   -0.7416534291   1.0228698788  -0.6063429615
C    0.3282078591   0.1121561242   2.1106087389
C    1.5540131364  -0.5485316095   1.5502606426
C   -0.2551679435  -1.3865805120  -0.6131186594
C   -1.1697467421   2.1794605638   0.0423460191
C   -0.0558203153   1.1485964635  -1.8102750979
C    2.3559489839   0.1032685713   0.6190572714
C    1.8836226261  -1.8530909216   1.9097072154
C   -0.9100317667   3.4304168775  -0.4965198027
C    0.2086457480   2.4005073766  -2.3479910648
C   -3.9533046192   1.2277828629  -1.0060764198
C   -0.2163923283   3.5464189646  -1.6926242252
C    3.4441480713  -0.5304635760   0.0373659677
C    2.9656468566  -2.5031700890   1.3412364744
C   -4.8694541373   1.4206138590   0.8336736526
C    3.7329928176  -1.8345125954   0.3995638880
H   -1.1369322633  -1.4487408022   1.8095154778
H   -1.8054128206   0.1497061273   1.9523331775
H   -2.5356054865  -0.9120742785  -1.5629961717
H   -2.8218368345  -1.6808617545  -0.0061775736
H    0.2729496435  -0.0556252889   3.1882888016
H    0.3985219410   1.1918573819   1.9727150096
H   -1.7084334537   2.1221128539   0.9801735331
H    0.2881705479   0.2709381611  -2.3428627733
H    2.1287558878   1.1223890381   0.3316458275
H    1.2803655535  -2.3803273661   2.6393074307
H   -1.2503433057   4.3154044020   0.0243919772
H    0.7508264453   2.4755624992  -3.2812427284
H   -3.6208939177   1.3337132471  -2.0267610457
H   -0.0083085513   4.5227607437  -2.1097290055
H    4.0543707020  -0.0097877371  -0.6881254553
H    3.2062173786  -3.5175801114   1.6290486472
H   -5.4955200185   1.7902149811   1.6304204242
*