! 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
O    0.8715661808   0.6344068910  -1.2260718763
N    0.9363286153  -2.2188268109  -0.6326084586
N    0.9536010605  -3.0797669632   0.3886303051
N   -0.9870144646  -3.2273772306  -0.7254594786
C    3.2100228042   0.8527717034  -0.3908428398
C    1.8514921132   0.0842168739  -0.3871099340
C    3.9400866074   0.2283623305   0.8120983053
C    1.5377936370   0.0558180374   1.0926809805
C    2.8400303483  -0.1985657594   1.8067560880
C    2.0543564938  -1.3479070889  -0.9056192141
C    2.9518901076   2.3377673895  -0.1203572337
C    3.9931933054   0.7216136142  -1.6897821377
C    0.3905284896   0.3077510234   1.7141113724
C   -0.2285361208  -2.3069438336  -1.2735610063
C   -0.2156490892  -3.6587288436   0.2901176744
H    4.6417394869   0.9357349928   1.2556843003
H    4.5326772671  -0.6326512962   0.4968999029
H    2.8853323024   0.3536253472   2.7448796351
H    2.9347763455  -1.2561476011   2.0636358665
H    2.9313869864  -1.8164287389  -0.4666902750
H    2.2073990346  -1.3245273996  -1.9844111211
H    3.9017533899   2.8657124186  -0.0241230799
H    2.4074069809   2.8193137496  -0.9357569834
H    2.3960045377   2.5091713504   0.8044228116
H    3.4308421001   1.1154788186  -2.5383413553
H    4.9230870139   1.2892065196  -1.6257267829
H    4.2670558602  -0.3089919206  -1.9169905383
H    0.6036872681   1.4962294026  -0.8927758304
H   -0.4729792288  -1.7110914374  -2.1376161605
H   -0.5199394258  -4.4338521401   0.9761202457
C   -0.9175418855   0.6585312447   1.1162934931
C   -3.4086539179   1.3439718532   0.0823644884
C   -1.9289334609  -0.2914921273   1.0060240096
C   -1.1940145084   1.9675987690   0.7243006791
C   -2.4289225052   2.3165024408   0.1979071332
C   -3.1717893270   0.0403376592   0.4887869919
H   -1.7458678745  -1.3089605533   1.3254419265
H   -0.4374056578   2.7361916573   0.8349310266
H   -2.6201527146   3.3346640905  -0.1127021233
H   -3.9438810181  -0.7121679258   0.4036022969
Cl  -4.9565529893   1.7661445545  -0.5746245314
H    0.3993337918   0.2731468618   2.8015074817
*