! 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  -0.5354628963  -0.9605237504  -2.1920248540
Cl   3.9966135991  -2.0896241488   0.3953068063
O   -0.7647644810   2.5911138806   0.3337530842
N   -2.3712695614  -0.6536658951   0.7077398978
N   -2.2134090806  -2.8533093409   0.6954813081
C   -0.9948063323   1.2598823652  -0.0460750844
C   -2.0223895078   0.7235091602   0.9575233538
C    0.2734897580   0.4363002132  -0.0041833647
C    0.5497596730  -0.5951401578  -0.8944324845
C    1.1963532313   0.6642704572   1.0141205975
C   -3.3253737282  -1.1058097218  -0.1621901268
C   -1.7241011546  -1.7419258560   1.1795656672
C   -0.0597138619   3.3467441904  -0.6218326260
C    1.6899565957  -1.3778882714  -0.7852484261
C    2.3434989219  -0.0963226209   1.1503543627
C    2.5762173824  -1.1176957748   0.2437409273
C   -3.2159476402  -2.4627180100  -0.1509184238
C    0.1503379023   4.7402804853  -0.1429085840
C   -0.2397457871   5.2383312043   1.0236991778
H   -1.4337208117   1.2241060552  -1.0506039273
H   -1.6305417316   0.8027377965   1.9724995897
H   -2.9284863205   1.3255474893   0.9056902055
H    1.0146903974   1.4605372506   1.7245273812
H   -3.9795457463  -0.4363259915  -0.6962921963
H   -0.9203062084  -1.6670868829   1.8967735877
H    0.9188029298   2.9004781582  -0.8454039068
H   -0.6044863057   3.3684368706  -1.5760349216
H    1.8768590866  -2.1758502294  -1.4903088023
H    3.0401421167   0.1038641474   1.9524970518
H   -3.8054410534  -3.1778065695  -0.7033349110
H    0.6806306077   5.3697041216  -0.8500143132
H   -0.0325105455   6.2682089492   1.2838205814
H   -0.7679779443   4.6510594644   1.7638676532
*
