! 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  -4.0191562416   1.4580440885  -2.9124104692
O    1.8713184938   1.4700735997  -0.1903261015
O    1.5767213935  -1.6677342131   2.4804998633
N    1.6658083150  -0.6746594733   0.4378393228
N    1.6000193364  -3.0059266540   0.6474160634
N    2.3704106843  -4.8499805915  -0.2755403027
C    1.7808681824   0.7085428113   0.9889931763
C    1.2744888472  -0.6235581485  -1.0005738578
C    0.9947673548   0.8795728024  -1.1184209144
C    0.5158310003   1.0747645641   1.7830806974
C    3.0549061849   0.9338341573   1.7770827441
C    2.4176984646  -1.0007598141  -1.9359920460
C    0.0079713361  -1.3997981871  -1.3324304058
C    0.3214954972   2.5750246349   1.9987492696
C    1.6043488707  -1.7193105907   1.2664861010
C   -1.1586879048   2.9404627502   2.1737899761
C   -1.9478005554   2.6159043512   0.9360293846
C    0.6094133854  -3.9475826251   0.7831774727
C    2.6413199329  -3.6104026817   0.0178266565
C   -2.7672119724   1.4922335141   0.8729923703
C   -1.7997501616   3.3841067227  -0.2176005059
C    1.0979103894  -5.0667864443   0.1866328484
C   -3.4085937997   1.1274654044  -0.3026960605
C   -2.4360860282   3.0413421819  -1.4003618939
C   -3.2320912975   1.9066485824  -1.4332868966
H    1.2151316212   1.2634151245  -2.1135240899
H   -0.0538848826   1.1097104106  -0.8909826876
H    0.5370325120   0.5681540755   2.7465845023
H   -0.3486473310   0.6646531722   1.2557410141
H    3.9327650386   0.6254638328   1.2097251102
H    3.0432744281   0.3965463657   2.7216066398
H    3.1569303439   1.9950971648   2.0065989127
H    2.1329424721  -0.7683957518  -2.9626576758
H    2.6474487246  -2.0635619830  -1.9061351652
H    3.3265542767  -0.4444471122  -1.7060317653
H   -0.3786305179  -1.0400796190  -2.2875641979
H    0.1744713475  -2.4695342085  -1.4429770620
H   -0.7709790309  -1.2395508578  -0.5845334975
H    0.8764446888   2.9069694386   2.8788210894
H    0.7149697143   3.1444092637   1.1547531837
H   -1.2343307266   4.0068231510   2.3974013739
H   -1.5755999517   2.4075630456   3.0315120593
H   -0.3359711381  -3.7274875996   1.2499411272
H    3.5816197024  -3.1108573342  -0.1522519600
H   -2.9023196550   0.8772798161   1.7545148688
H   -1.1690915580   4.2651341936  -0.2011074275
H    0.6018417089  -6.0158629219   0.0631730983
H   -4.0333014286   0.2450872870  -0.3310521695
H   -2.3060330389   3.6490883255  -2.2855338421
*