! 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  -3.0694364213   3.5177968954   0.3854535127
N   -0.6194334432  -2.3965565035  -0.6522343203
N   -0.4918951575  -3.4570158625   0.1522280469
N   -2.6087751136  -2.7122746187   0.1644035935
N    2.0406008119  -1.7662849372   1.7201944529
C    1.1787698548  -0.6685151533  -0.4907994108
C    2.4000403365  -0.1696914876  -1.3059786901
C    0.5124386585  -1.8035417538  -1.3129791969
C    3.0201707346   1.1555253747  -0.8738456811
C    0.1518985624   0.4184635462  -0.2192149092
C    3.6102030984   1.2210703335   0.5311459078
C    1.6533684717  -1.2634706487   0.7596585463
C   -0.4083587573   0.6232655737   1.0348358264
C   -0.3051108189   1.1901429991  -1.2860409463
C    4.7844255658   0.2805667420   0.7564417359
C   -1.3985507732   1.5764116472   1.2302399120
C   -1.2923822065   2.1432284085  -1.1084338552
C   -1.8821145226  -1.9614027583  -0.6242079719
C   -1.8336067728   2.3288487842   0.1549369537
C   -1.7061999079  -3.6072817627   0.6099599942
H    2.0765823192  -0.0703110025  -2.3447658668
H    3.1482938957  -0.9653395342  -1.3109968757
H    1.2352458419  -2.5880944487  -1.5282209049
H    0.1811525699  -1.3920364359  -2.2650731425
H    2.2833450957   1.9539116362  -0.9875813181
H    3.8104233135   1.3794044491  -1.5961956816
H    2.8355220155   1.0420542823   1.2818979660
H    3.9439538822   2.2477235499   0.7014643091
H   -0.0883248449   0.0423499348   1.8899269274
H    0.1023548707   1.0577059153  -2.2802793813
H    5.1907333439   0.3966870236   1.7618726250
H    5.5912519119   0.4876627541   0.0506676499
H    4.5097119370  -0.7681967379   0.6413738484
H   -1.8217972052   1.7190871639   2.2148013853
H   -1.6329805821   2.7318070974  -1.9488104548
H   -2.2280416572  -1.1191848740  -1.2022940831
H   -1.9547359131  -4.4023360446   1.2949087772
*