! 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  -0.3755384686  -0.4128346394  -2.0801303224
Cl   4.0920598051  -2.0500389936   0.3466148776
O   -0.6289840371   2.5416782910   1.0633118571
N   -2.3543227749  -0.6892665872   0.7384150154
N   -3.3182312773  -2.1512405734  -0.6040229687
C   -0.9115802211   1.3018940949   0.4516443821
C   -1.9873981327   0.5946809566   1.2876330434
C    0.3495012611   0.4795817748   0.3823153619
C    0.6655362598  -0.3341616201  -0.7000021387
C    1.2330928590   0.4824886140   1.4589460316
C   -1.7202017485  -1.8842665320   0.9466316848
C   -3.2867112734  -0.9034697879  -0.2153548832
C   -1.2316091109   3.6509989575   0.4345141376
C    1.8121989908  -1.1143167258  -0.7264709220
C    2.3838314412  -0.2855185448   1.4645992407
C    2.6614729085  -1.0799088158   0.3641064338
C   -2.3327075509  -2.7718994005   0.1140029242
C   -0.5381275728   4.0967795566  -0.8124973796
C    0.6031776674   3.6185295906  -1.2914076044
H   -1.3039607638   1.4552160037  -0.5584035682
H   -1.6370042757   0.4546772977   2.3104700073
H   -2.8817326540   1.2174385878   1.3316205246
H    1.0227627686   1.0976810377   2.3237859611
H   -0.9220987697  -1.9988355762   1.6611402818
H   -3.9287654693  -0.1127580110  -0.5731461388
H   -2.2889650377   3.4569654397   0.2098280510
H   -1.2285518923   4.4666668653   1.1634831789
H    2.0333910222  -1.7356246900  -1.5830068822
H    3.0504702841  -0.2621626161   2.3150427979
H   -2.1208453019  -3.8236531230   0.0025213803
H   -1.0498008294   4.8942798258  -1.3428709989
H    1.0276781271   4.0130525797  -2.2051833193
H    1.1646023443   2.8310845674  -0.8037691484
*
