! 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   5.0798446405   4.6086790357  -0.1719225307
O   -0.6125066831  -1.7362564070   1.2823682363
N   -1.5667889853  -3.3696926678  -0.9610659926
N   -1.5837189379  -4.1859256851   0.0999962505
N   -3.2742671897  -4.6772814710  -1.2831130089
C   -0.8001363024  -1.1969848394  -0.0057333812
C   -2.1719237774  -0.4555388917  -0.2336482885
C    0.2958609327  -0.1335157216  -0.2740514034
C   -1.7802896141   0.9355333491  -0.7674014411
C   -0.3634410037   0.7822545454  -1.2993032519
C   -3.1395347205  -0.3913185180   0.9585215276
C   -0.5993775220  -2.3020092551  -1.0613398691
C    0.7227431030   0.6178571355   0.9979596089
C   -4.2855598071   0.5770217629   0.6620074790
C   -3.7538075525  -1.7454314874   1.3071520662
C    1.8031638523   1.6227247093   0.7176303247
C   -2.5835939004  -3.6695365497  -1.7662782681
C    1.5294991734   2.9854658747   0.6459914130
C    3.1156681656   1.2056467541   0.5024894268
C    2.5271744847   3.9112240643   0.3720813291
C    4.1266860793   2.1126954293   0.2270867902
C   -2.6249757982  -4.9453419361  -0.1383055975
C    3.8209862409   3.4637403013   0.1645641138
H   -2.7141792394  -0.9712902608  -1.0369960440
H    1.1904350222  -0.6140815544  -0.6854366089
H   -1.7873280882   1.6691931862   0.0437105166
H   -2.4776347994   1.3017212099  -1.5211104194
H   -0.3705652821   0.3089307629  -2.2841429296
H    0.1534730895   1.7349922640  -1.4203866627
H   -2.5967032760  -0.0133604485   1.8319270667
H    0.3950427583  -2.7377554870  -0.9581286152
H   -0.6763112960  -1.8938008747  -2.0671362495
H    1.0939257156  -0.0987894647   1.7308751447
H   -0.1303545469   1.1204588179   1.4597393624
H   -0.9920040735  -2.6251212437   1.3195887414
H   -3.9471782373   1.5987384592   0.4930575630
H   -4.8454988478   0.2617428788  -0.2223783920
H   -4.9871176333   0.6060950659   1.4975682710
H   -4.2793075904  -2.1645900082   0.4452118294
H   -4.4871498092  -1.6374086884   2.1087786819
H   -3.0312658603  -2.4828182879   1.6462500171
H   -2.7715661491  -3.1501487037  -2.6924381820
H    0.5193956145   3.3402672150   0.8120064595
H    3.3618207739   0.1516765103   0.5564716303
H    2.2932976309   4.9661665023   0.3247752233
H    5.1397163514   1.7685072425   0.0685934150
H   -2.9189901493  -5.7282836567   0.5426518719
*