! 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  -0.4925746702   1.0278075736  -2.3989647181
Cl   3.6988036442   2.5790454171   0.4976827187
O   -2.4661254484  -0.0298987543  -0.4069456716
O   -1.6881175045  -1.1774882620   1.3595754547
N    0.1141739148  -2.5986660502  -0.5093622192
N    1.2474566498  -2.3205890329  -1.1609343973
N    1.6654909367  -3.6230162332   0.6174673051
C   -1.3544296867  -0.7195346872   0.0759442942
C   -3.2284123611   0.4328235499   0.7058644552
C   -2.9472556242  -0.6430512030   1.7468441585
C   -1.1212153577  -1.9338347708  -0.8383298232
C   -0.1006199362   0.1502043051   0.1631643377
C   -2.8501373125   1.8369535443   1.1488395000
C   -3.0032594112   2.8756052912   0.0506174922
C    0.3516405584   0.9431343771  -0.8884854724
C    0.6818575316   0.1184272388   1.3135623982
C    1.5099752170   1.6990381505  -0.7933900887
C    1.8493124261   0.8524339283   1.4340325173
C    0.3828529552  -3.3618691360   0.5516779121
C    2.2498097698   1.6451645380   0.3743526611
C    2.1409529066  -2.9568203399  -0.4516505485
H   -4.2754872011   0.4216562821   0.3954319183
H   -2.8768671548  -0.2444573805   2.7601625644
H   -3.7057918903  -1.4294511668   1.7349208158
H   -1.0724652885  -1.6374443597  -1.8829148854
H   -1.9506106586  -2.6321090680  -0.7256638547
H   -3.5053073904   2.0901379318   1.9871231759
H   -1.8311110358   1.8529544442   1.5462678992
H   -2.7651993952   3.8722475917   0.4245499159
H   -2.3415099189   2.6753920976  -0.7925744505
H   -4.0271937447   2.9031771704  -0.3293408313
H    0.3771115450  -0.4941650000   2.1491840882
H    1.8312798150   2.3129714173  -1.6231219755
H    2.4306542415   0.8016075412   2.3437246003
H   -0.3763689721  -3.7186990530   1.2284498164
H    3.1848179382  -2.9485371139  -0.7230396331
*
