! 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  -4.8450972515   0.6976332275  -2.5791006570
O    2.5622859987   1.6399931920   0.1956906145
O    1.9074380532  -2.4655068653  -1.3304782580
N    2.3735562982  -0.5730561236  -0.1707078477
N    0.9144205846  -2.2078076082   0.6903305764
N   -0.9407903489  -2.9387767948   1.6222104843
C    2.0619673452   0.4926406221   0.8386109481
C    3.3155807724  -0.0526724968  -1.1935006342
C    3.7135327342   1.2587349643  -0.5211776289
C    0.5638851779   0.6975181924   1.0593019786
C    2.8088894127   0.2635012471   2.1482167676
C    4.5342276164  -0.9399785796  -1.3929317702
C    2.6082108033   0.2411657037  -2.5153066278
C    0.1973101560   2.0631882335   1.6331052127
C    1.7749378463  -1.7509874302  -0.3563561950
C   -1.2747106325   2.1122293853   2.0584221830
C   -2.2117799822   1.7744181577   0.9334724536
C    1.2677572492  -2.6812307419   1.9301703822
C   -0.4226738173  -2.4016881627   0.5546304971
C   -2.4582957295   2.6928107050  -0.0847277890
C   -2.8061423202   0.5190311838   0.8428547068
C    0.1074203062  -3.1254523233   2.4843632589
C   -3.2669865449   2.3732196739  -1.1644534886
C   -3.6169443156   0.1775222036  -0.2303497051
C   -3.8382444302   1.1115020613  -1.2285163762
H    4.5794151188   1.1276513911   0.1390514082
H    3.9548457773   2.0378618197  -1.2434343720
H    0.1983775237  -0.0663631477   1.7475055247
H    0.0401811348   0.5549543265   0.1106096304
H    2.3791333020  -0.5556811430   2.7190270972
H    2.7428664016   1.1573141751   2.7685236182
H    3.8644656776   0.0428132687   1.9900387968
H    4.9727971369  -1.2348332798  -0.4388903235
H    5.2922818906  -0.3811679914  -1.9445203949
H    4.3103956080  -1.8372533670  -1.9647114595
H    3.3091983066   0.7240232760  -3.1973319544
H    2.2460166702  -0.6608669889  -3.0014183184
H    1.7644641772   0.9174764374  -2.3721435895
H    0.8070521859   2.2955617057   2.5093992490
H    0.3870444879   2.8491577414   0.8998236652
H   -1.4950313597   3.1123697474   2.4380133140
H   -1.4326193013   1.4189081566   2.8880008412
H    2.2871650573  -2.7053978133   2.2748444443
H   -0.9565651603  -2.1163675897  -0.3380982569
H   -2.0119613687   3.6791707839  -0.0405821593
H   -2.6313598531  -0.2152209479   1.6194155795
H   -0.0251470385  -3.5766003693   3.4543574652
H   -3.4479995743   3.1006913359  -1.9439636832
H   -4.0672333680  -0.8045431802  -0.2824674815
*