! 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  -0.6098308307  -0.2863783855   2.4655542890
Cl   1.7341952658  -4.0911239487  -0.4318421188
O   -1.8483407419   1.5482681236   0.4226518609
O   -0.6719458186   1.9971234652  -1.4364042146
N    1.7266143532   2.1715364381   0.4769299869
N    2.3133878264   2.4620712343  -0.6866772516
N    3.6836896150   1.2321846944   0.5980569677
C   -0.5662543108   1.4987841577  -0.1294635113
C   -2.7942233091   1.5335267248  -0.6446924360
C   -2.0332531949   2.2887080756  -1.7232296404
C   -3.2096931007   0.1287690219  -1.0541153689
C    0.3310497983   2.4248398435   0.7137890884
C   -0.0016387495   0.0772757252  -0.1792035244
C   -3.7729190790  -0.7034398713   0.0895079006
C    0.0081970479  -0.7769214270   0.9213049412
C    0.5753951532  -0.3991077550  -1.3529998468
C   -4.0955160651  -2.1263286292  -0.3389047146
C    0.5323524911  -2.0588826377   0.8544018742
C    1.1124710886  -1.6709766491  -1.4485005544
C    2.5473200138   1.4247650693   1.2186859746
C    1.0789345104  -2.4953549347  -0.3387362095
C    3.4791397354   1.8836038222  -0.5621179549
H   -3.6667297957   2.0926218192  -0.3008430641
H   -2.2686779187   1.9493664503  -2.7326723818
H   -2.2108112554   3.3662244381  -1.6670523019
H   -2.3694450019  -0.3976918783  -1.5185816905
H   -3.9672253627   0.2344376052  -1.8369434869
H    0.1454708109   2.2726899554   1.7744970014
H    0.0981692657   3.4641882246   0.4851013802
H   -4.6739580260  -0.2214880984   0.4807907728
H   -3.0580673223  -0.7319239143   0.9141482515
H    0.6024108601   0.2340686899  -2.2268057342
H   -4.8130665586  -2.1467568774  -1.1611812721
H   -3.1969316134  -2.6484609554  -0.6737081171
H   -4.5211236236  -2.7022059438   0.4836437525
H    0.5173404900  -2.7008811717   1.7239479628
H    1.5475813720  -2.0074632898  -2.3789436406
H    2.2880045736   1.0697996667   2.2041101983
H    4.2215263059   1.9403784316  -1.3424757377
*
