! 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   5.5011074094   2.8866303492  -0.9119577686
O   -2.4147222323   0.1831302516   2.0061782649
N   -0.9252842850  -2.6487690567   0.1423154396
N    0.3935479783  -2.6649290176  -0.0753919980
N   -0.6579218267  -3.9610477777  -1.5738099402
C   -1.8542825899  -0.4074980719   0.8491473479
C   -2.8575280257  -0.2202307450  -0.3108723237
C   -0.6202285544   0.3851860601   0.3753673721
C   -2.4806007159   1.1444723599  -0.9474262475
C   -1.2340093523   1.6467092321  -0.2155862389
C   -4.3572209962  -0.3060217579   0.0157351574
C   -1.5274373453  -1.8715120422   1.2021249917
C    0.4412476665   0.6299706305   1.4467473136
C   -5.1614486062  -0.2254810394  -1.2817356128
C   -4.7861409697  -1.5576513759   0.7747081897
C    1.7017301033   1.2045089300   0.8660350440
C   -1.5320613570  -3.4212287447  -0.7585512960
C    1.9705425577   2.5686880168   0.9166904490
C    2.6282005245   0.3736654211   0.2388189985
C    3.1321962900   3.0962783939   0.3694298727
C    3.7950193667   0.8798845595  -0.3116396224
C    0.5013789323  -3.4620112111  -1.1072477849
C    4.0375507206   2.2429802650  -0.2386186866
H   -2.6428384462  -1.0024805107  -1.0481718182
H   -0.1576290014  -0.1800327778  -0.4404258955
H   -3.2993837932   1.8609879825  -0.8682657896
H   -2.2788544348   1.0216686859  -2.0115598538
H   -0.5449842289   2.1778436481  -0.8731724277
H   -1.5057872064   2.3387666264   0.5854069494
H   -4.6200488251   0.5642667581   0.6264012011
H   -2.4269686379  -2.3956415263   1.5158946708
H   -0.8403923307  -1.9032465893   2.0493803088
H    0.6866257993  -0.3074066467   1.9535889050
H    0.0552095730   1.3117998138   2.2092917145
H   -1.7802171135   0.1263342447   2.7301139709
H   -4.9378787600   0.6694046552  -1.8632652228
H   -4.9583426450  -1.0898571873  -1.9190469155
H   -6.2326288606  -0.2165267696  -1.0735057027
H   -4.5144236493  -2.4708584093   0.2385294141
H   -5.8718806727  -1.5720315007   0.8883112833
H   -4.3645681800  -1.6110807991   1.7768611422
H   -2.5990938241  -3.5792727274  -0.7741960256
H    1.2682619007   3.2387379602   1.3972540265
H    2.4374650257  -0.6914670192   0.1837518404
H    3.3255596160   4.1589020013   0.4240645219
H    4.5056686368   0.2168429655  -0.7859641316
H    1.4618224955  -3.6940527448  -1.5406465501
*