! 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   0.4886736937   0.1300072727  -2.3981025008
Cl  -2.3238648524   3.6731205448   0.3829245224
O    1.2930229185  -1.7190438402   1.7643448140
N   -0.8148559838  -2.5609562452  -0.1590836617
N   -1.2663535999  -2.7903983875   1.0804736520
N   -2.9708699968  -2.3166515137  -0.2909116147
C    1.2027075988  -1.2750400640   0.4288182512
C    2.6454347747  -1.0364560658  -0.0417504320
C    0.5982866855  -2.4227785477  -0.4119204365
C    3.4839694265  -0.0773904389   0.8052489349
C    0.3174935901  -0.0219212087   0.3509062234
C    3.2742032479   1.4185992989   0.5736123916
C   -0.0416916980   0.6455197064  -0.8222139590
C   -0.1919449908   0.5156116179   1.5330550992
C    3.6532235701   1.8846961538  -0.8253466011
C   -0.8460919424   1.7760000778  -0.8234589783
C   -0.9969445843   1.6404628443   1.5668333199
C   -1.8398014629  -2.2613963446  -0.9541888724
C   -1.3195766126   2.2670225808   0.3783030716
C   -2.5598093906  -2.6361115537   0.9476091804
H    2.6449555208  -0.7211306945  -1.0845836854
H    3.1325566094  -2.0159283522  -0.0334933490
H    1.1066408079  -3.3498489046  -0.1471307049
H    0.7311524686  -2.2775711069  -1.4789644921
H    3.3453820442  -0.3036763843   1.8642780031
H    4.5337030960  -0.3013171866   0.5952239656
H    3.8902906872   1.9555263369   1.2995520138
H    2.2439614357   1.7070413714   0.7900709132
H    0.4472331322  -2.1278239561   2.0094057008
H    0.0606870149   0.0544455929   2.4754889645
H    3.0232726554   1.4413691228  -1.5975672234
H    3.5558474321   2.9671345305  -0.9174486177
H    4.6886744424   1.6274420181  -1.0588312624
H   -1.0993335869   2.2617083550  -1.7552906593
H   -1.3615646428   2.0159417878   2.5126468571
H   -1.7235354002  -2.0348305879  -2.0021478753
H   -3.2319423137  -2.7640404869   1.7813479114
*