! 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    1.0295409035   0.7193932997  -1.2502895233
N    0.8125118270  -2.0550224235  -0.5673518950
N    0.6367148051  -2.8566680139   0.4863460597
N   -1.1741824705  -2.8973298523  -0.8372726412
C    3.3715782541   0.8061248872  -0.4183372567
C    1.9550873731   0.1513881772  -0.3628594710
C    4.0420531407   0.2314760736   0.8372012196
C    1.6266223977   0.2546481498   1.1133845084
C    2.9181550623   0.0771747515   1.8770319404
C    2.0403580862  -1.3244987072  -0.7766094166
C    3.2292808533   2.3239119466  -0.2752336507
C    4.1496133000   0.5062055273  -1.6918040185
C    0.4624816406   0.4995088339   1.7087628192
C   -0.2764489157  -2.0805511787  -1.3348428494
C   -0.5635826161  -3.3338521490   0.2787972672
H    4.8469900363   0.8775689479   1.1894331007
H    4.4987865141  -0.7354995654   0.6155222663
H    2.9948304828   0.8155348745   2.6758077165
H    2.9543907415  -0.9031010562   2.3572723440
H    2.8186846072  -1.8506204157  -0.2286798097
H    2.2869876689  -1.3901821855  -1.8364144231
H    2.6628893681   2.6171205616   0.6119318891
H    4.2169006971   2.7791509620  -0.1888464697
H    2.7507126525   2.7773854590  -1.1457051426
H    5.1039407202   1.0362268077  -1.6797319408
H    4.3793688303  -0.5537401020  -1.8079597112
H    3.6077567645   0.8347221712  -2.5809865948
H    0.8435669293   1.6256879629  -0.9862979474
H   -0.3639631737  -1.5196113340  -2.2503220740
H   -1.0160486238  -4.0347381939   0.9625225510
C   -0.8702502015   0.7159550760   1.1055750877
C   -3.4334539203   1.1237818603   0.0970235725
C   -1.8555707754  -0.2588669414   1.2386689086
C   -1.2125223186   1.9152655490   0.4842639063
C   -2.4836350685   2.1246192058  -0.0284954524
C   -3.1321313804  -0.0681054171   0.7339090109
H   -1.6264440508  -1.1881922628   1.7428155439
H   -0.4864331564   2.7166172099   0.4133626039
H   -2.7268070802   3.0606791193  -0.5117198470
H   -3.8787154585  -0.8432111892   0.8386112850
Cl  -5.0274482528   1.3730902935  -0.5398932410
H    0.4708977749   0.5265556199   2.7966876457
*