! 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   1.5964965064   2.1810506287   1.2974429715
Cl   5.6365625392  -0.8835418461  -0.3315138826
O   -1.0157373042  -0.9683861977  -0.6136111438
O   -0.7659947888   0.4350464221   1.1230297650
N   -2.0304722752   1.5818248065  -1.2067685370
N   -2.6216693255   2.4151169689  -0.3458378137
N   -4.1527856503   1.4076418605  -1.6419575975
C   -0.3141471415   0.1540491324  -0.1731470139
C   -1.6521358522  -1.6028433451   0.4967686589
C   -1.8464430711  -0.4258020529   1.4380986739
C   -2.9056893513  -2.2963320442   0.0005337176
C   -0.6224867576   1.2985454507  -1.1528429788
C    1.1892160323  -0.0985145889  -0.1605807030
C   -3.6153478917  -3.1612106411   1.0382931255
C    2.1024725178   0.7558346277   0.4559520956
C    1.7038463062  -1.1997075488  -0.8374964143
C   -4.2622769125  -2.4046674746   2.1905956642
C    3.4683652097   0.5199323813   0.4125016396
C    3.0626686948  -1.4593404521  -0.8969307893
C   -2.9549420261   0.9813257282  -1.9589758462
C    3.9356668910  -0.5910971685  -0.2668057133
C   -3.8862054360   2.2764561426  -0.6475813128
H   -0.9686593871  -2.3377809788   0.9416959111
H   -2.8081471350   0.0759039463   1.2758203115
H   -1.7723324043  -0.7002285155   2.4896777132
H   -2.6212534665  -2.9368544195  -0.8378383103
H   -3.5990020259  -1.5484850175  -0.3979794625
H   -0.2861497154   1.0172138523  -2.1503226715
H   -0.0974057864   2.2088765669  -0.8741244161
H   -2.9184249571  -3.9062472873   1.4322406900
H   -4.3903873964  -3.7254860729   0.5151825321
H    1.0287166712  -1.8789801200  -1.3375967889
H   -4.8706792194  -3.0763155875   2.7972344168
H   -3.5304012473  -1.9542591852   2.8614032395
H   -4.9175746892  -1.6097801485   1.8293213907
H    4.1538855614   1.1984985596   0.9007243690
H    3.4280362610  -2.3247824601  -1.4313503843
H   -2.7117721144   0.2706726736  -2.7323471179
H   -4.6530412510   2.8343299771  -0.1336469015
*