! 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  -0.1118390557  -0.8793315202   2.3705539264
Cl   0.1393299398  -5.2315220377  -0.6867063893
O   -0.6177438577   1.3337751080   0.4448085364
O    0.4524219026   1.3371486285  -1.5290483468
N    1.8861238231   2.6462495191   0.5101114449
N    2.5174633437   3.3364554420  -0.4445154224
N    1.5106281476   4.7311276018   0.9978788008
C    0.4715319354   0.7908234733  -0.2374800562
C   -1.5684103456   1.7936625506  -0.5134145544
C   -0.6571170123   2.2156010489  -1.6545969789
C   -2.5821142118   0.7282208954  -0.9003885540
C    1.7683994387   1.2130457899   0.4665431591
C    0.3944287114  -0.7324266459  -0.3186550236
C   -3.3608266795   0.1593688974   0.2775893908
C    0.1297115034  -1.5396972620   0.7862797102
C    0.6025940191  -1.3731799858  -1.5365733190
C   -4.3134433600  -0.9470521328  -0.1466267506
C    0.0471163511  -2.9203455127   0.6831065171
C    0.5306666493  -2.7490849021  -1.6685378145
C    1.2829092086   3.4897314075   1.3492087759
C    0.2458538221  -3.5126316039  -0.5508089560
C    2.2654263987   4.5731399579  -0.1060864566
H   -2.0800864399   2.6489722618  -0.0673756492
H   -1.1097943813   2.0826587703  -2.6379591525
H   -0.3342138175   3.2571453663  -1.5581235009
H   -2.0919688817  -0.0841847945  -1.4475279150
H   -3.2778247430   1.1903066838  -1.6078371744
H    2.6281912928   0.8121420185  -0.0669129058
H    1.8037803056   0.8281368634   1.4839055892
H   -3.9209708537   0.9624622558   0.7654040026
H   -2.6690047762  -0.2311095391   1.0263623923
H    0.8186412390  -0.7875817138  -2.4178154696
H   -4.8808210362  -1.3315802385   0.7015686830
H   -5.0308318109  -0.5965515406  -0.8907954186
H   -3.7695359740  -1.7860159517  -0.5846545049
H   -0.1689352975  -3.5198849965   1.5561732780
H    0.6921824090  -3.2106897267  -2.6323062943
H    0.7166327837   3.1636945304   2.2061865942
H    2.6529085797   5.4024504772  -0.6764570225
*