! 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  -0.5063165065  -1.4035492789  -2.6694050237
Cl  -4.4260271897   1.0428112837   0.0493989873
O    0.5560651920  -2.9097113242   0.9413879833
N    1.5593991213  -2.1934100237   0.3578402863
N    3.5152546973   2.1079874429   1.8394372182
C    2.1767564685  -0.2073540868  -0.8023070176
C    1.1564751290  -1.1037533567  -0.1604578900
C   -0.2426403397  -0.6212109552  -0.1004819513
C    2.3671691712   1.0366864732   0.0226683953
C   -1.0780873703  -0.6749894600  -1.2088767607
C   -0.7390028989  -0.0485088504   1.0661956255
C    1.5887289834   2.1725620185  -0.1606285567
C    3.3110498748   1.0664180268   1.0428038490
C   -2.3672862997  -0.1681651422  -1.1805941777
C   -2.0224625545   0.4656887363   1.1258513522
C   -2.8229670603   0.4010430848  -0.0036179838
C    1.7872092551   3.2665929143   0.6662762695
C    2.7600316906   3.1851051486   1.6486077967
C    1.0837603557  -4.0648501478   1.5686417028
H    3.1180789690  -0.7485139975  -0.9001256162
H    1.8498548949   0.0621984553  -1.8090210562
H   -0.1080093160   0.0075003301   1.9430437637
H    0.8405413987   2.2060688215  -0.9432394303
H    3.9388564981   0.1986480605   1.2176412950
H   -2.9997530594  -0.2212135454  -2.0554827970
H   -2.3882943099   0.9109185060   2.0400932549
H    1.2014254048   4.1679578722   0.5520675540
H    2.9390821090   4.0252524497   2.3088329122
H    1.7978442546  -3.8099441854   2.3543353292
H    1.5630357126  -4.7345557199   0.8516836490
H    0.2358763829  -4.5782087646   2.0175736306
*
