! 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  -6.3830508633   4.8023505221   0.3056149748
O    1.8153493172   1.0446241435  -0.1595686691
O    1.4248362850  -2.7060740383   1.5397866955
N    2.3107017977  -1.1370966325   0.1542555814
N    3.1097955669  -3.3382338031   0.1600145380
N    3.9792494117  -4.8393110702  -1.1946095627
C    1.3175459411  -0.0832092695   0.5231121663
C    3.4556369757  -0.5362928005  -0.5850029395
C    3.2165720213   0.9254264478  -0.2084523611
C   -0.0592419417  -0.4066413201  -0.0499471670
C    1.2936932063   0.1949862732   2.0248597780
C    4.8311969777  -0.9691275547  -0.0992998796
C    3.3291195963  -0.7034751075  -2.0959611097
C   -1.0925134352   0.6949867358   0.1590698832
C    2.2121782194  -2.3597355439   0.6806721919
C   -2.4124254412   0.3558030598  -0.5356155710
C   -3.4312998560   1.4421057424  -0.3477918167
C    4.0122855539  -4.0542207081   0.9072948016
C    3.1236104491  -3.8622453134  -1.0928137478
C   -3.4865121103   2.5264156998  -1.2201220397
C   -4.3094508788   1.4227876473   0.7325352223
C    4.5507041290  -4.9569747115   0.0457322685
C   -4.3882402894   3.5626037270  -1.0285534861
C   -5.2193396591   2.4488255396   0.9424345441
C   -5.2491560933   3.5134379188   0.0562349619
H    3.6803214862   1.1662926060   0.7565753018
H    3.6075616929   1.6150719535  -0.9555927224
H   -0.4273898491  -1.3303410470   0.3995614047
H    0.0539398230  -0.5988570008  -1.1209729466
H    0.7374365166  -0.5582128636   2.5751228849
H    0.8161842763   1.1582569237   2.2033346657
H    2.2991003708   0.2439903171   2.4440990168
H    5.1473019210  -1.9300760753  -0.5005240284
H    4.8891384524  -1.0055015995   0.9889206297
H    5.5600306743  -0.2319786747  -0.4408448045
H    2.3455191364  -0.4045875632  -2.4585810421
H    4.0735998278  -0.0790289970  -2.5910805695
H    3.5126782988  -1.7270288754  -2.4148579588
H   -1.2830748083   0.8436340138   1.2249857396
H   -0.7208891017   1.6465550371  -0.2288599257
H   -2.7986076497  -0.5876222463  -0.1414952739
H   -2.2296430003   0.1999881103  -1.6018242959
H    4.2023936833  -3.8387041800   1.9451602027
H    2.4488460419  -3.5308142362  -1.8653561043
H   -2.8163638661   2.5672654508  -2.0704448379
H   -4.2897268594   0.5911644670   1.4265921092
H    5.3189292986  -5.6845726008   0.2520343011
H   -4.4173667407   4.3943488452  -1.7192824469
H   -5.8953868417   2.4135745459   1.7859073519
*