! 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   4.9076798070   4.7365585425  -0.3762388015
O   -0.9512718511  -1.4412428416   1.4086856124
N   -1.2573433338  -3.3834873712  -0.7103965525
N   -2.2951421042  -3.5771949349  -1.5296561451
N   -2.2676045571  -5.1432363886   0.0761475112
C   -0.9313015178  -1.0440021929   0.0527703156
C   -2.3006406546  -0.4920744256  -0.4670399838
C    0.0351218357   0.1512183687  -0.0669302896
C   -2.1092573084   1.0356905847  -0.5958510228
C   -0.8535837530   1.3592652310   0.2013057076
C   -3.5479228027  -0.9043552541   0.3403651461
C   -0.4145636812  -2.2107341622  -0.7998980311
C    1.2920057670   0.0653502934   0.8004331710
C   -3.7571947057  -0.1383556931   1.6473191538
C   -4.7920722538  -0.7604889775  -0.5318797064
C    2.2201815967   1.2156271169   0.5290106844
C   -1.2607227449  -4.3175697284   0.2415179963
C    2.2405790283   2.3329968537   1.3587440730
C    3.0544411266   1.2118832633  -0.5865898302
C    3.0611401073   3.4192988963   1.0903144688
C    3.8833148109   2.2860218165  -0.8727995217
C   -2.8629559137  -4.6402227048  -1.0201973624
C    3.8767670432   3.3854482866  -0.0284963633
H   -2.4491914752  -0.9040135173  -1.4678646652
H    0.3498437871   0.2014703223  -1.1177059367
H   -2.9779661300   1.6062996315  -0.2662134380
H   -1.9482429645   1.2997830835  -1.6432412075
H   -0.3910181911   2.2989844543  -0.1026083900
H   -1.0738640472   1.4362632373   1.2706827295
H   -3.4715206560  -1.9741934077   0.5791668550
H    0.5857291060  -2.5014692583  -0.4756424382
H   -0.3507323774  -1.9272083105  -1.8487612267
H    1.8176020234  -0.8746787048   0.6095224153
H    1.0166558905   0.0655643501   1.8560024027
H   -1.7395979817  -1.9643292462   1.5860740050
H   -4.5881276827  -0.5730799642   2.2055703848
H   -2.8859309098  -0.1473270484   2.2998914289
H   -4.0146154611   0.9056707327   1.4600544643
H   -4.9400550188   0.2752937133  -0.8470697737
H   -5.6886947486  -1.0665547487   0.0102564647
H   -4.7228549641  -1.3754118648  -1.4306260517
H   -0.5080831362  -4.3758634425   1.0116222209
H    1.6050932366   2.3630207445   2.2353763227
H    3.0646710717   0.3541597273  -1.2487255745
H    3.0615398602   4.2771952736   1.7489894087
H    4.5259091282   2.2619922817  -1.7424024905
H   -3.7442468308  -5.0753696064  -1.4648498131
*