! 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   5.2740640363   3.2061374463  -0.7341366539
O   -1.9253816711  -1.1509627303   1.4450574104
N   -0.7314733570  -2.7689599669  -0.6210356975
N    0.3780607284  -2.6105490777  -1.3493639289
N    0.7311479650  -4.0937237584   0.2954130931
C   -1.9429997195  -0.7237034025   0.0983135093
C   -3.1803693186   0.1434204913  -0.2223279914
C   -0.7371667155   0.2326425359  -0.1324520414
C   -2.7745417656   1.5215408635   0.2870144280
C   -1.3382959832   1.6554975237  -0.2041937137
C   -4.5483103231  -0.3895241145   0.2439701351
C   -1.9035221456  -1.9474955339  -0.8238076205
C    0.3766732149   0.1078996015   0.9163775549
C   -4.9250259870  -0.0092762302   1.6755059720
C   -5.6427915070   0.0913029766  -0.7056276181
C    1.6022422462   0.8832946114   0.5201627222
C   -0.5008621407  -3.6442930848   0.3563321428
C    1.9113215351   2.1063158383   1.1076821958
C    2.4588046755   0.3957984823  -0.4660608831
C    3.0340642737   2.8297688003   0.7280135382
C    3.5862972862   1.0996622623  -0.8576560114
C    1.2207118109  -3.4218836735  -0.7625062111
C    3.8634398027   2.3173564555  -0.2547302144
H   -3.2168231231   0.2088701947  -1.3182275794
H   -0.2977494096  -0.0116101574  -1.1022826023
H   -2.8073157299   1.5534262875   1.3786586372
H   -3.4241418454   2.3184138339  -0.0788481497
H   -1.3318731642   2.0113412924  -1.2361791066
H   -0.7669331352   2.3799797065   0.3779644178
H   -4.5361618441  -1.4855062325   0.1816556647
H   -1.9132706731  -1.6422432723  -1.8683529159
H   -2.7825748458  -2.5764251079  -0.6651182608
H    0.6563159147  -0.9391600171   1.0541497446
H    0.0203679423   0.4665467335   1.8839949234
H   -2.7135597940  -1.6792887574   1.6138915254
H   -5.8471785758  -0.5148521786   1.9668365734
H   -4.1661501982  -0.2722107619   2.4116854979
H   -5.1043317144   1.0637583869   1.7662532372
H   -5.6885624079   1.1826449353  -0.7320852145
H   -6.6243148579  -0.2696162650  -0.3932187008
H   -5.4719321229  -0.2578023272  -1.7252396420
H   -1.2520486610  -3.9459206045   1.0679188788
H    1.2720231845   2.5077726418   1.8844030241
H    2.2442933393  -0.5555589256  -0.9388703153
H    3.2558569174   3.7775207750   1.1994474635
H    4.2403920513   0.6998877667  -1.6204978728
H    2.2303663133  -3.5430464551  -1.1226194042
*