! 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   5.4541778387   2.7910936965  -1.0836593249
O   -2.1151218479  -0.8845123520   1.6207938158
N   -0.6916226464  -2.6318428791  -0.2981410935
N   -0.4097565983  -3.1383452028   0.9080689562
N    1.3796289151  -3.2816015983  -0.4325248474
C   -2.0542490112  -0.6326786763   0.2322762884
C   -3.3296419790   0.1236315236  -0.1782522778
C   -0.9117318039   0.3606011843  -0.1435283832
C   -3.0240972690   1.5576767387   0.2427948274
C   -1.5804490909   1.7565955862  -0.2153562465
C   -4.6790163081  -0.4626752959   0.2728167000
C   -1.9425872339  -1.9475505194  -0.5479208067
C    0.2816091553   0.3229086008   0.8054100438
C   -5.1299588022  -0.0270336719   1.6638872636
C   -5.7612224377  -0.1070925899  -0.7445089894
C    1.5442654985   0.9683179419   0.2916279825
C    0.3851049277  -2.7132136104  -1.0760714825
C    1.6211275889   1.6919969049  -0.8937836770
C    2.7136123445   0.8277312376   1.0415723486
C    2.8170008317   2.2566691142  -1.3222679023
C    3.9144498317   1.3808533243   0.6329154298
C    0.8391356089  -3.5144628935   0.7743612197
C    3.9557595362   2.0958611119  -0.5551898557
H   -3.3259270613   0.1140077159  -1.2768243282
H   -0.5626145865   0.0879371873  -1.1449655855
H   -3.1018493511   1.6661769393   1.3266011835
H   -3.7075400855   2.2828822798  -0.2015840516
H   -1.5652412406   2.1302783287  -1.2408576129
H   -1.0531470936   2.4932500257   0.3934312738
H   -4.5919885078  -1.5548526173   0.2815034264
H   -1.9946757139  -1.7560500884  -1.6183070673
H   -2.7581556377  -2.6248258916  -0.2919821506
H    0.5443029423  -0.7020345309   1.0786938747
H    0.0090948706   0.8054810782   1.7488774340
H   -1.4658340509  -1.5635279916   1.8502280585
H   -5.3599214950   1.0401632457   1.6948245120
H   -6.0425425895  -0.5571997250   1.9436326111
H   -4.3851989128  -0.2305850417   2.4300768899
H   -5.8767899973   0.9755276895  -0.8381630887
H   -6.7303054707  -0.5133087934  -0.4487580908
H   -5.5277797703  -0.5011839512  -1.7351750374
H    0.3979025996  -2.3653094970  -2.0968302355
H    0.7473033430   1.8317308668  -1.5156229378
H    2.6888902790   0.2662371415   1.9680440917
H    2.8491665442   2.8134208607  -2.2488195049
H    4.8054514552   1.2512202201   1.2320065004
H    1.3767196496  -3.9793018541   1.5855473522
*