! 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   2.1575233692  -0.5505679410  -2.0841000760
Cl   1.1957278662  -5.4602611494  -0.2634693605
O   -0.8877425860   0.7116993483   1.0012907629
O   -0.0942423362   1.0892259840  -1.0678914843
N    1.2214700610   2.5783207357   0.9366790629
N    0.7127927606   3.0764484512   2.0678026851
N    0.8593291756   4.6771436310   0.5013701384
C    0.2083121866   0.4893618956   0.1585156932
C   -1.8846216394   1.4671048144   0.3151684876
C   -1.4998996867   1.2448301323  -1.1358877127
C   -3.2716166953   0.9882948723   0.6848128708
C    1.4494206635   1.1703756305   0.7557477026
C    0.4543326709  -1.0092042700   0.0134789445
C   -4.3520354200   1.8220525470   0.0040050790
C    1.3124234880  -1.5465026670  -0.9459218931
C   -0.1618598666  -1.9020804062   0.8852569036
C   -5.7554483315   1.3713202385   0.3767984495
C    1.5441480365  -2.9105296782  -1.0391739573
C    0.0511384137  -3.2684001768   0.8145901394
C    1.2872217719   3.5393102158   0.0134537066
C    0.9074054363  -3.7610599914  -0.1530855658
C    0.5190370665   4.3311627721   1.7577966847
H   -1.7799203889   2.5275608116   0.5813525460
H   -1.9797862048   0.3475161135  -1.5463488184
H   -1.7239875320   2.0902593164  -1.7838608656
H   -3.3982039928   1.0490128695   1.7692132034
H   -3.3784601114  -0.0653282025   0.4074785420
H    2.3159476370   1.0368316269   0.1113855995
H    1.6877789771   0.7290290890   1.7210282666
H   -4.2359345136   1.7699722142  -1.0825814640
H   -4.2214891011   2.8738237022   0.2745877866
H   -0.8315439756  -1.5273978057   1.6451206421
H   -6.5109375267   1.9934604575  -0.1041008104
H   -5.9353682064   0.3394127776   0.0703998683
H   -5.9182871377   1.4290204384   1.4544382617
H    2.2139083703  -3.2987924770  -1.7935952411
H   -0.4470345299  -3.9317680660   1.5073545436
H    1.6706240792   3.3756117283  -0.9805216698
H    0.1215773848   5.0326410697   2.4742688204
*
