! 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  -4.7416173136  -3.5838118550  -1.0256440397
Cl   1.1379962447   1.1429709605  -1.8948818882
O   -1.3384775950   2.7460815987   0.8120593937
N   -0.2699140856   0.7897198772   1.0597747499
N    2.7340314304   3.0842532603  -1.2927778369
C    0.5969661974  -1.4305502776   0.6527403921
C    0.8139459954  -0.1063978602   1.0595166900
C   -0.7330717953  -1.9276876787   0.2328877557
C    1.6692484018  -2.3196839921   0.6907117028
C    2.0653895907   0.2827433590   1.5257363900
C   -1.2540121913  -3.0755202087   0.8305110346
C   -1.4830232706  -1.3054592047  -0.7653165476
C    2.9287505373  -1.9170054592   1.1028234828
C    3.1230988407  -0.6112687864   1.5256649642
C   -0.3100850723   2.0928200698   0.7148970977
C    0.9390848561   2.7721048471   0.2553096587
C   -2.4826849278  -3.5907865477   0.4507435762
C   -2.7125973299  -1.8097414056  -1.1573919956
C   -3.2040772961  -2.9503768118  -0.5435159298
C    1.3679505234   3.8857712445   0.9681357260
C    1.6651107561   2.4473679277  -0.8849045003
C    2.5007795446   4.5659131948   0.5586482522
C    3.1564583266   4.1193650984  -0.5740246131
H    1.5140429193  -3.3420968167   0.3707101404
H    2.2159077269   1.2787112748   1.9170228393
H   -1.1761490631   0.3979184416   1.2846397103
H   -0.7010518256  -3.5733975606   1.6164477804
H   -1.1080930741  -0.4229879957  -1.2646447711
H    3.7477669469  -2.6231314963   1.1065576225
H    4.0921014953  -0.2881681053   1.8808873915
H   -2.8699672101  -4.4779519983   0.9320963847
H   -3.2735031273  -1.3166393022  -1.9391022855
H    0.8283224548   4.2013471520   1.8510672517
H    2.8659279549   5.4241596832   1.1030172366
H    4.0497854875   4.6157625895  -0.9291084630
*
