! 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   0.9120050329  -0.1153812114   2.1548921667
Cl   4.1518223332  -2.0099438997  -1.6063334879
O   -2.2520557888  -0.3953157781  -1.0412766306
O   -1.7796724785  -0.1264389411   1.1139447544
N   -0.3673725864   2.3927396159   0.3836131074
N   -0.6456378952   2.8266567838   1.6155008297
N    1.4869126885   3.2840226597   1.0836537154
C   -1.3116909069   0.1590588236  -0.1618080893
C   -2.9235751497  -1.4720258711  -0.3773650320
C   -2.3187149721  -1.4340305519   1.0294270193
C   -1.3268078898   1.6710757722  -0.4086030935
C    0.0746249189  -0.4312543846  -0.4422906183
C   -4.4223284897  -1.2451364240  -0.4067639024
C   -4.9926471356  -1.1398002885  -1.8121139473
C    1.0984641879  -0.5625991522   0.4949186847
C    0.3687689935  -0.7972247326  -1.7551418600
C    2.3497102040  -1.0539196602   0.1435891894
C    1.6082533434  -1.2795898107  -2.1338479056
C    0.9055811007   2.6632335272   0.0882470705
C    2.5927609986  -1.4077440180  -1.1697123881
C    0.4920067230   3.3490230677   1.9885593252
H   -2.6783036338  -2.4111942350  -0.8827059081
H   -3.0567315362  -1.5580428870   1.8212023696
H   -1.5407754260  -2.1936797103   1.1591618956
H   -2.3194330905   2.0635883867  -0.1924639538
H   -1.1118061023   1.8608305334  -1.4594144047
H   -4.6651696373  -0.3475660469   0.1702553780
H   -4.8884916129  -2.0848045569   0.1151158886
H   -6.0770312249  -1.0325392150  -1.7818350897
H   -4.5950574267  -0.2780738402  -2.3482310526
H   -4.7681541273  -2.0316781670  -2.4003235859
H   -0.3930608328  -0.7028932406  -2.5159654397
H    3.1228619943  -1.1508136659   0.8927289674
H    1.7954726780  -1.5503069580  -3.1632917681
H    1.3522414967   2.4172825740  -0.8626421502
H    0.6088992378   3.8087139830   2.9573221534
*