! 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  -5.9929988977   1.6512670497  -1.9980967017
O    3.0952490392   1.5612618752  -0.2152280460
O    1.5107990067  -1.2194146506   2.3973466580
N    2.3397975217  -0.4816492914   0.4194384272
N    1.5899173016  -2.6935178990   0.6739294171
N    0.4283858834  -4.4366012157  -0.0006477550
C    2.6329682729   0.8844405258   0.9345105092
C    2.6640297275  -0.5834950074  -1.0260500016
C    2.6394200862   0.9025632693  -1.3733665642
C    1.3991045218   1.5902534893   1.5137238467
C    3.7703322920   0.8776970613   1.9437909332
C    4.0626013542  -1.1512909325  -1.2460744187
C    1.6340823074  -1.3059019725  -1.8822890947
C    0.1295535699   1.5425937262   0.6742967020
C    1.8202962515  -1.3986337881   1.2359649634
C   -1.0641169861   2.1391682425   1.4229394676
C   -2.3206676850   2.0431121870   0.6071869792
C    2.4999401971  -3.6947038867   0.4443216077
C    0.3609902218  -3.1998110166   0.4032816913
C   -2.7417216769   3.0977257753  -0.1974137611
C   -3.0633866677   0.8644502199   0.5886548274
C    1.7592436277  -4.7576541168   0.0273057565
C   -3.8686210954   2.9880935008  -0.9998308135
C   -4.1916345768   0.7335836798  -0.2063397937
C   -4.5838554476   1.8018034320  -0.9977824210
H    3.3095806542   1.1376440818  -2.2004302740
H    1.6300614171   1.2215881718  -1.6554042067
H    1.6916532627   2.6329271639   1.6678067412
H    1.1919736235   1.1894415483   2.5051842716
H    4.0393360352   1.9034162157   2.1981281856
H    4.6531619331   0.3851165961   1.5364125206
H    3.4891037207   0.3747554405   2.8657518234
H    4.3068642484  -1.1175262461  -2.3082552454
H    4.1371667688  -2.1900794006  -0.9315193886
H    4.8217543882  -0.5797591095  -0.7118541901
H    1.7339162097  -2.3889861189  -1.8588748350
H    0.6135548529  -1.0315746885  -1.6134580707
H    1.7872124015  -1.0014986951  -2.9190674200
H    0.2627593985   2.0907545415  -0.2610342796
H   -0.1174767427   0.5127911862   0.3982058624
H   -0.8563366011   3.1827462439   1.6707532762
H   -1.1961648250   1.6099252535   2.3702430308
H    3.5533341002  -3.5783994616   0.6316221974
H   -0.5395373627  -2.6145991923   0.5089998905
H   -2.1841577582   4.0264335679  -0.2024605705
H   -2.7607784249   0.0282379745   1.2079035491
H    2.1158019061  -5.7377876760  -0.2453093990
H   -4.1810908423   3.8199260825  -1.6163006817
H   -4.7554104737  -0.1893737844  -0.2046510018
*