! 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   0.1035033102  -1.1779665367   2.8419451831
Cl  -4.5355445219  -1.4053903954   0.1723180517
O    3.4237653861  -1.0701354784  -0.5133710441
N    2.1077900981  -1.4103526953  -0.4273286270
N    1.8114488402   3.1444641022  -2.2747489573
C    1.8369712207   0.8062838890   0.6730325061
C    1.3882944838  -0.5322859479   0.1484294699
C   -0.0663083222  -0.8125079906   0.1689465441
C    1.3831346730   1.8790665408  -0.2803292407
C   -0.7609344030  -1.0600321655   1.3486008670
C   -0.7942380403  -0.7722506933  -1.0162299129
C    0.1525869736   2.5084482293  -0.1408783631
C    2.1657887123   2.2383840500  -1.3719436333
C   -2.1333225139  -1.2461876450   1.3665573975
C   -2.1658633233  -0.9590702034  -1.0319562100
C   -2.8221368334  -1.1864557301   0.1661369164
C   -0.2313179463   3.4547139015  -1.0767595214
C    0.6309621098   3.7362858857  -2.1232638904
C    4.1579963127  -2.1159713982  -1.1247021875
H    1.3911552700   0.9800892884   1.6533899731
H    2.9168646334   0.8396302361   0.8039850570
H   -0.2781565826  -0.5782234470  -1.9467130030
H   -0.4969073699   2.2684434809   0.6923900820
H    3.1324539595   1.7672780081  -1.5177894884
H   -2.6505202628  -1.4400125792   2.2956385864
H   -2.7102935913  -0.9182447085  -1.9645882830
H   -1.1799831960   3.9669834440  -0.9977181710
H    0.3584079313   4.4720427074  -2.8703393340
H    3.8058114682  -2.3197250543  -2.1377726032
H    4.1185310473  -3.0364835793  -0.5387983982
H    5.1893569958  -1.7729475483  -1.1722079546
*