! 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   4.5187425908  -0.1091985159  -0.0002102376
O   -2.1786124910  -1.6187816531   0.0018676976
N   -3.6297317253   0.1279837286  -0.0010468148
N   -1.3641727775   0.5099130519   0.0014171733
C    0.0081596396   0.2752837490   0.0009194474
C   -2.3860239466  -0.4068038200   0.0006766606
C    0.6153759036  -0.9824827009  -0.0005700963
C    0.8300582563   1.4075617387   0.0016451461
C   -4.7941133350  -0.7327687182  -0.0004962760
C   -3.8785685849   1.5567842867  -0.0031688691
C    1.9986131435  -1.0907376077  -0.0010219281
C    2.2077267320   1.2992297183   0.0011223400
C    2.7914387433   0.0423136992  -0.0001375051
H   -1.6091784684   1.4872091160   0.0036242049
H    0.0294941572  -1.8851677155  -0.0010068152
H    0.3860127551   2.3958986232   0.0033029596
H   -5.4073243333  -0.5504095618   0.8832491772
H   -4.5025089702  -1.7769855198  -0.0000843460
H   -5.4071456041  -0.5510865732  -0.8844557216
H   -3.4796341891   2.0501528539   0.8854598315
H   -4.9518491267   1.7238960998  -0.0035508163
H   -3.4791331101   2.0483514791  -0.8928363220
H    2.4469558860  -2.0750190961  -0.0025513542
H    2.8144910225   2.1942896772   0.0013225909
*