! 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  -4.5316078689   1.6466897480  -2.8215010391
O    2.3921753658   1.5177464801   0.5425390771
O    1.7610146213  -2.2884690673  -1.6179944849
N    2.2723521042  -0.6194502705  -0.1664049132
N    0.9698627753  -2.4582960815   0.4995281065
N    0.5427293924  -3.7186684974   2.2520522626
C    1.9419397358   0.2650737172   1.0019150195
C    3.1120646284   0.1148519349  -1.1451023467
C    3.5197166437   1.2966902906  -0.2726653509
C    0.4381879134   0.3731733108   1.2453010119
C    2.7112431504  -0.1220300301   2.2607047498
C    4.3346147938  -0.6704020323  -1.5918595180
C    2.2929963647   0.6102600099  -2.3364194295
C    0.0177427042   1.5655593329   2.0969313437
C    1.6991036800  -1.7734826664  -0.5193506704
C   -1.4898513487   1.5437908350   2.3727156667
C   -2.3000165650   1.5730868808   1.1079463029
C   -0.3658748056  -2.7721479139   0.4315253777
C    1.4677497587  -3.0663059177   1.6071613704
C   -2.8883202148   0.4189493057   0.5983960653
C   -2.4233381978   2.7521530353   0.3761434129
C   -0.6091078182  -3.5305289001   1.5328322622
C   -3.5776899281   0.4302770126  -0.6061500499
C   -3.1072249227   2.7853985407  -0.8289820167
C   -3.6781968747   1.6178241391  -1.3117598333
H    4.4133021996   1.0704139182   0.3218784880
H    3.7185422330   2.1961679676  -0.8539566632
H    0.0849226126  -0.5309069493   1.7422029493
H   -0.0666268464   0.4207480817   0.2765892170
H    3.7609040725  -0.3299584383   2.0547422609
H    2.2864083254  -0.9950380151   2.7490023316
H    2.6671332902   0.6971399907   2.9781873786
H    5.0230459747   0.0043884555  -2.1032216265
H    4.0852658329  -1.4696849982  -2.2858217924
H    4.8649474889  -1.0999555032  -0.7415568207
H    1.4402221677   1.2088114669  -2.0137001813
H    2.9202429190   1.2406772609  -2.9679398263
H    1.9244570193  -0.2070375216  -2.9512494799
H    0.5374572709   1.5546283494   3.0576685137
H    0.2801285770   2.5045962069   1.6062898588
H   -1.7436705973   2.4029840114   2.9972999903
H   -1.7401939201   0.6507645470   2.9504763684
H   -1.0048065509  -2.4092786615  -0.3559189055
H    2.5151480243  -3.0348365608   1.8611289586
H   -2.8051337735  -0.5129337048   1.1452739276
H   -1.9771832786   3.6663281331   0.7495035457
H   -1.5507438346  -3.9506882863   1.8472016627
H   -4.0263134365  -0.4775067631  -0.9862357217
H   -3.1922658158   3.7107979045  -1.3822933989
*