! 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 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
O    3.7974264872   0.5253643998  -0.0009701600
O    2.4532071056  -1.2638482767  -0.0006313895
N   -0.1870892206  -0.7031239431   0.0012039209
N   -0.6410978076   1.4198786926   0.0007696842
N    1.6308264660   0.9059371522  -0.0009994913
C   -1.5626022055  -0.5977312749   0.0012442933
C   -1.8544462747   0.7664923772   0.0007675339
C    0.3754522098   0.5275124558   0.0001983585
C   -2.5617943652  -1.5530577869   0.0009299894
C   -3.1582059719   1.2275968673   0.0001419148
C   -3.8733195682  -1.0939790383   0.0002687700
C   -4.1654526612   0.2702813593  -0.0000424878
C    2.5847842827  -0.0445337581  -0.0012520659
C    4.9227849202  -0.3438321198  -0.0002835143
H    0.3630475442  -1.5491977248   0.0016157524
H   -2.3327263448  -2.6098390938   0.0003769342
H   -3.3842400518   2.2850253221   0.0002494314
H   -4.6832626037  -1.8105696390  -0.0007430854
H   -5.1979557448   0.5920013907  -0.0005848536
H    5.7983077899   0.3004056585   0.0027394818
H    4.9533788754  -0.9741391411  -0.8897261243
H    4.9496373002  -0.9769264754   0.8872411212
H   -0.4998472971   2.4182874708  -0.0021714095
*