! 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   1.5516050272   0.0870134945   2.3158159317
Cl   2.8641968533   4.5281882540  -0.3126771578
O   -1.3435833948  -0.5486596617  -1.0957892154
O   -0.9929874747  -0.7540299173   1.1133653250
N   -0.0734283758  -3.0094470115  -0.5327299613
N   -0.2456162116  -3.8066890772   0.5263749252
N   -1.3426783324  -4.6190760313  -1.2559577154
C   -0.3476492372  -0.5868467085  -0.1135442119
C   -2.6346066846  -0.7758137889  -0.5305077583
C   -2.3095940136  -1.2263625455   0.8895449147
C    0.6115715771  -1.7474682213  -0.4430796037
C    0.4579788393   0.7064941095  -0.1161049273
C   -3.5255744807   0.4510157368  -0.6273647201
C   -3.0559018520   1.6813218137   0.1329576712
C    1.3193043990   1.0764350470   0.9146088289
C    0.3896500250   1.5502508394  -1.2213580680
C    2.0570807351   2.2506914810   0.8655757333
C    1.1185505663   2.7240130923  -1.2995507931
C   -0.7397124583  -3.5010986019  -1.5789832319
C    1.9451638793   3.0672826633  -0.2447820507
C   -1.0089514812  -4.7516898261   0.0422757112
H   -3.1031979180  -1.5882169004  -1.0920175754
H   -2.9695841321  -0.7843071994   1.6369826857
H   -2.3664235453  -2.3128012566   0.9971711704
H    1.3939408898  -1.8369552995   0.3072709497
H    1.0943049938  -1.5506855960  -1.4001091006
H   -3.6623365665   0.6990105259  -1.6829908967
H   -4.5111193787   0.1482720562  -0.2625878289
H   -2.9440205153   1.4953402121   1.2021561040
H   -2.1047318457   2.0583688817  -0.2410142231
H   -3.7838972029   2.4855917541   0.0247652071
H   -0.2533764355   1.2921156502  -2.0499209846
H    2.7118004227   2.5166200348   1.6836284489
H    1.0364088140   3.3563745054  -2.1721592151
H   -0.7380221164  -3.0318361567  -2.5498131573
H   -1.3332423315  -5.5806522283   0.6513958928
*