! 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   2.1143407120  -0.2130159878   1.8393426936
Cl   2.6588537696   4.6343439906  -0.2997290257
O   -1.5687672182  -0.4918372382  -0.7683110376
O   -0.6461600834  -0.9748761594   1.2257283551
N   -0.1905724635  -2.9433511849  -0.8356769519
N   -0.0394657943  -3.8396602109   0.1443101953
N   -1.6334410013  -4.5046895916  -1.2905258963
C   -0.3498108044  -0.6042897515  -0.0905468199
C   -2.6508405411  -0.5571386157   0.1604025361
C   -2.0197872545  -1.3125496190   1.3183754250
C    0.4823289302  -1.6721494013  -0.8205006850
C    0.4190214993   0.7125386563  -0.1009584489
C   -3.1824719214   0.8165713983   0.5320777913
C   -3.7615540640   1.5791349058  -0.6481367955
C    1.5174191431   0.9650404457   0.7195205013
C    0.0580604582   1.7085398049  -1.0028213429
C    2.2079012631   2.1670621177   0.6677572651
C    0.7303606101   2.9162529804  -1.0784885611
C   -1.1497136244  -3.3478851393  -1.6702707407
C    1.8018689406   3.1360315350  -0.2321351678
C   -0.9188883721  -4.7520527883  -0.1759914981
H   -3.4432642637  -1.1433833092  -0.3111645168
H   -2.3943061856  -0.9930352378   2.2914290903
H   -2.1695908579  -2.3937310760   1.2340704596
H    1.4542320617  -1.8053939829  -0.3513044675
H    0.6536288075  -1.3549727436  -1.8489694079
H   -3.9647720721   0.6664752724   1.2808308732
H   -2.3994156977   1.4039053221   1.0212622379
H   -4.1655522741   2.5395260674  -0.3278782252
H   -3.0150226533   1.7824744496  -1.4159816456
H   -4.5739866602   1.0211542218  -1.1171587696
H   -0.7709813286   1.5433436771  -1.6747447627
H    3.0524415707   2.3381921801   1.3202345507
H    0.4175510226   3.6674891815  -1.7896568582
H   -1.4444654451  -2.7886931234  -2.5434601303
H   -1.0455794153  -5.6437548108   0.4175623881
*