! 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   1.7730170813   2.3702952508   0.9563846936
Cl   5.5027599737  -1.0952778916  -0.6002865509
O   -1.1237828638  -0.9536432361  -0.0410099453
O   -0.6628599069   0.7120036138   1.3603631077
N   -2.2146175525   1.4319855833  -0.9807014321
N   -3.0015999803   0.8853451380  -1.9111565081
N   -4.2321207338   1.9876874271  -0.3944365209
C   -0.3650783617   0.2083048115   0.0953159262
C   -1.4431160869  -1.4686104448   1.2557132664
C   -0.8309432266  -0.4207773311   2.1927100017
C   -2.9417661768  -1.6337926842   1.4368346235
C   -0.7918023252   1.2129084246  -0.9768005907
C    1.1281531452  -0.0955198239  -0.0497324036
C   -3.5900553560  -2.7733862571   0.6568916729
C    2.1315876455   0.8068997810   0.3013472853
C    1.5312587494  -1.3153561426  -0.5846953452
C   -3.6528682197  -2.5967483951  -0.8530503541
C    3.4758611696   0.5084467688   0.1362953226
C    2.8655527857  -1.6420926178  -0.7581951042
C   -2.9613069311   2.0748991910  -0.0812815999
C    3.8294286867  -0.7200160914  -0.3927249684
C   -4.1945468486   1.2456038190  -1.5181147970
H   -0.9487992027  -2.4366914782   1.3872569932
H   -1.4826269157  -0.1483527945   3.0219362294
H    0.1280421168  -0.7545315534   2.6021999578
H   -3.4424550052  -0.6839407084   1.2191327822
H   -3.1027279764  -1.8263428187   2.5015851327
H   -0.5131391154   0.8415797795  -1.9605517384
H   -0.2796421389   2.1622696261  -0.8296194044
H   -4.6085189338  -2.8931176810   1.0354315810
H   -3.0736273797  -3.7077417790   0.8980975016
H    0.7834595896  -2.0384328864  -0.8770509424
H   -2.6676363544  -2.6074563424  -1.3163598883
H   -4.2362334475  -3.3999488458  -1.3060908704
H   -4.1271490529  -1.6518449922  -1.1207145073
H    4.2323126556   1.2275121817   0.4176435281
H    3.1410672054  -2.6016830676  -1.1722214445
H   -2.5495531273   2.6076142486   0.7599265895
H   -5.0776614691   0.9693403344  -2.0725779694
*