! 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   5.6378440590   2.6484524103  -1.1877260565
O   -2.4360117196   0.6097086617   1.7744361131
N   -0.9922510617  -2.6298511029   0.7552855737
N    0.3193503850  -2.7678321732   0.5424571288
N   -0.8222708017  -4.3327804508  -0.5882517190
C   -1.8207648031  -0.2506617154   0.8357726940
C   -2.7529936060  -0.3843274335  -0.3756801349
C   -0.5695359895   0.3991370608   0.2093728745
C   -2.6011741497   0.9739212259  -1.0626966118
C   -1.1098243555   1.3164331151  -0.9090074947
C   -4.1845187663  -0.8943470472  -0.1377855675
C   -1.5385663025  -1.5713341123   1.5715174618
C    0.3377243612   1.1056124200   1.2178724481
C   -5.1808616408   0.1657587705   0.3223624392
C   -4.7068626641  -1.5751658494  -1.4012892709
C    1.6560590661   1.5015365305   0.6162973460
C   -1.6539114258  -3.5653656718   0.0734128823
C    2.6485307057   0.5459478883   0.4045384689
C    1.9194061744   2.8160622138   0.2450145546
C    3.8717572879   0.8871648563  -0.1496973251
C    3.1372398667   3.1783224403  -0.3148861894
C    0.3686426975  -3.7967584448  -0.2642385388
C    4.1059738978   2.2074302686  -0.5040445403
H   -2.2622075751  -1.1149295759  -1.0322859682
H    0.0154595646  -0.4007375973  -0.2507718599
H   -3.2135908375   1.7256189051  -0.5628669502
H   -2.9200731105   0.9487458913  -2.1052679696
H   -0.5669236792   1.1387946334  -1.8379065643
H   -0.9702343306   2.3721535308  -0.6679820475
H   -4.1463841619  -1.6611102157   0.6455788584
H   -2.4625451245  -1.9431845556   2.0149929400
H   -0.8429412162  -1.4047510823   2.3953786807
H    0.5319675166   0.4473945966   2.0713110049
H   -0.1581992294   1.9969833337   1.6100456116
H   -1.8278729722   0.7636848664   2.5064776863
H   -5.3385826885   0.9306603987  -0.4405226553
H   -6.1511254663  -0.2949289550   0.5169250962
H   -4.8667181529   0.6651910516   1.2362011178
H   -5.7152973870  -1.9647916706  -1.2511789524
H   -4.0740633911  -2.4131339946  -1.7023290282
H   -4.7476455714  -0.8782845617  -2.2415559873
H   -2.7275999275  -3.6665109747   0.1046313816
H    2.4669284384  -0.4860595131   0.6814383475
H    1.1676411801   3.5801874991   0.4003128139
H    4.6331906945   0.1333773812  -0.2970586032
H    3.3247352626   4.2066849679  -0.5923986197
H    1.3070334547  -4.1823948552  -0.6302535523
*