! 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    0.9297742628   0.3220195123  -1.3850306761
N    1.0520629542  -2.4090028964  -0.3809938252
N    0.8172890991  -2.8632495068   0.8523293693
N   -0.7641576528  -3.5908882082  -0.5637980367
C    3.2262420538   0.7457489779  -0.5373419520
C    1.8827365379  -0.0526045622  -0.4278697802
C    3.9269114321   0.4010492807   0.7888416100
C    1.5189331176   0.2080068271   1.0183847219
C    2.8012940867   0.1251146368   1.8051584966
C    2.1647175749  -1.5426968288  -0.6791735997
C    2.9228261151   2.2453503011  -0.5898922937
C    4.0615586427   0.3792271458  -1.7577048857
C    0.3818288282   0.6438920505   1.5672145709
C    0.1012156160  -2.8435251752  -1.2091042555
C   -0.2777404988  -3.5624035186   0.6920391276
H    4.5782144519   1.2147555177   1.1099418331
H    4.5668474338  -0.4755099154   0.6715727431
H    2.7989845589   0.8311844578   2.6354787773
H    2.9095773778  -0.8701470981   2.2440409502
H    3.0158895959  -1.8899191590  -0.0973554487
H    2.4112818026  -1.6902562773  -1.7302636872
H    2.4226928096   2.5318112683  -1.5171967250
H    2.3053422506   2.5844425546   0.2446095583
H    3.8563551387   2.8083778524  -0.5477227384
H    4.9396925772   1.0254435508  -1.8164074529
H    4.4274075917  -0.6481910940  -1.7295022216
H    3.4994526839   0.5127296976  -2.6847075169
H    0.5857121009   1.1952721387  -1.1682777818
H    0.0839616235  -2.6073962467  -2.2614488344
H   -0.7397626087  -4.0841633381   1.5158429214
C   -0.9544658212   0.8714554346   0.9973804780
C   -3.5155186561   1.4187557458   0.0282815255
C   -1.6500543294   2.0184690283   1.3937188142
C   -1.6003035959  -0.0102813943   0.1306422185
C   -2.8689699567   0.2560531293  -0.3589395937
C   -2.9166720606   2.3036811840   0.9120333180
H   -1.1883615705   2.7103472119   2.0879601600
H   -1.1215103229  -0.9310115024  -0.1590128839
H   -3.3475424846  -0.4433808433  -1.0313848065
H   -3.4277007525   3.2039429805   1.2255316416
Cl  -5.0991032471   1.7619273834  -0.5848947889
H    0.4556522492   0.9369430792   2.6120292655
*