! 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   1.3263482053   0.1490304890  -2.1485896347
Cl  -5.3770514167   0.1083048349  -0.1619527346
O    0.6309034282  -0.0099270455   2.3584532620
N    1.1237999639  -3.4847207172  -0.4869724777
N    3.1967226408  -2.5815207706   0.1963883041
C    0.5589709880  -0.0056010380   0.9468978484
C   -0.9333401622   0.0565922355   0.6380090867
C    1.3067046624   1.2097819631   0.3830044159
C    1.2026929012  -1.2981909036   0.4489216190
C   -1.8004291138  -0.7681532902   1.3560536611
C   -1.4749828367   0.9070454075  -0.3167838837
C    1.7101336153   1.3445251992  -0.9474963837
C    1.6024867124   2.2683362957   1.2401796848
C    0.5175000808  -2.3667361972  -0.1044791456
C    2.5740570810  -1.4759108573   0.5779622338
C   -3.1638541718  -0.7586411830   1.1167614428
C   -2.8397877941   0.9282424553  -0.5697456758
C    2.4028523851   2.4615633619  -1.3921171445
C    2.2867843292   3.3930600433   0.8082236059
C   -3.6741891101   0.0914416472   0.1480021250
C    2.6979323120   3.4877554872  -0.5108436827
C    2.4343996096  -3.5331570475  -0.3210355355
H   -1.4214018518  -1.4433565016   2.1113740880
H   -0.8529880306   1.5885492700  -0.8783676086
H    1.2914351324   2.2162473281   2.2735058736
H    1.5470174029  -0.1348871846   2.6366113597
H   -0.5514005286  -2.3283918857  -0.2704381875
H    3.2052801309  -0.6946727624   0.9903178869
H   -3.8166642154  -1.4088802786   1.6824922183
H   -3.2375617818   1.6000786491  -1.3174686827
H    2.7046655313   2.5294663284  -2.4281918166
H    2.4982655213   4.1909309404   1.5068797349
H    3.2389632876   4.3558812133  -0.8615929754
H    2.9346096765  -4.4386251067  -0.6406261375
*
