! 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  -0.6543541221  -2.1034867748  -2.1652992426
Cl  -4.4566443867  -1.7424015373   1.5903780267
O    3.2635714165  -0.4834625351   0.0838896094
N    2.0355744569  -0.9166218126   0.4682250201
N    2.8247784607   3.7457150884  -0.2939579958
C    1.2684706108   0.4964851420  -1.4092849722
C    1.0942247475  -0.4662726443  -0.2630920902
C   -0.2703422304  -0.8202906100   0.1842671901
C    1.4061509496   1.8946913812  -0.8650305551
C   -1.1662707892  -1.5217524607  -0.6183535829
C   -0.7054431940  -0.4288926668   1.4479590790
C    0.3004112312   2.5966901772  -0.3981549588
C    2.6420775004   2.5265347558  -0.7877064466
C   -2.4544487038  -1.8120265173  -0.2019499893
C   -1.9857238059  -0.7081530198   1.8949654413
C   -2.8504317604  -1.3929143727   1.0580359577
C    0.4773010825   3.8667955535   0.1244305711
C    1.7574722262   4.3947835412   0.1583391714
C    4.2635002352  -1.0072722134   0.9386933407
H    2.1391013177   0.2319823342  -2.0100996018
H    0.4008886257   0.4513787515  -2.0667735111
H   -0.0312559637   0.1174714404   2.0932980929
H   -0.6907130178   2.1626860628  -0.4502804444
H    3.5278135378   2.0219003551  -1.1561058320
H   -3.1294498975  -2.3617481033  -0.8425975922
H   -2.2983894100  -0.3894388296   2.8790294898
H   -0.3602954536   4.4415791395   0.4939850223
H    1.9261003311   5.3857920359   0.5623589964
H    4.1287165223  -0.6742400540   1.9696411951
H    5.2100683793  -0.6232993513   0.5647236794
H    4.2885812735  -2.0984352059   0.9134676490
*
