! 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    0.9664821700   0.6969532618  -1.2279835895
N    0.8455504981  -2.1070067421  -0.5840571304
N    0.7396844252  -2.9405053563   0.4541312712
N   -1.1234094595  -3.0052572327  -0.7935374263
C    3.3124528467   0.8288515051  -0.4092044715
C    1.9157782219   0.1333041675  -0.3633738691
C    4.0115211725   0.2367186165   0.8244819463
C    1.6001408505   0.1888741504   1.1169460922
C    2.8978962521  -0.0254155230   1.8565828655
C    2.0391681980  -1.3282481642  -0.8172465102
C    3.1292673279   2.3373295476  -0.2204330539
C    4.0860863528   0.5882367488  -1.6979255757
C    0.4447921614   0.4394229674   1.7258403121
C   -0.2737528331  -2.1472895281  -1.3063461719
C   -0.4533343571  -3.4502034435   0.2851221746
H    4.7776796655   0.9123601833   1.2066790910
H    4.5241972924  -0.6917479577   0.5647579158
H    2.9665772330   0.6381467699   2.7187904928
H    2.9552920369  -1.0449332508   2.2447235591
H    2.8543266888  -1.8404524743  -0.3114137609
H    2.2524587688  -1.3584767220  -1.8858821126
H    2.5709358684   2.5882267969   0.6847785672
H    4.1047043295   2.8190228405  -0.1380590406
H    2.6218350147   2.8014807115  -1.0689258245
H    5.0297902163   1.1366785483  -1.6757376557
H    4.3347303928  -0.4624225183  -1.8523719999
H    3.5301900533   0.9357893180  -2.5710317263
H    0.7550318650   1.5901980229  -0.9397528492
H   -0.4186541677  -1.5639835321  -2.2006895984
H   -0.8532814267  -4.1846035208   0.9667696636
C   -0.8805179997   0.7005291092   1.1223706627
C   -3.4141354549   1.1903132109   0.0787003761
C   -1.8697389005  -0.2781926806   1.1594311523
C   -1.2034396177   1.9436823482   0.5815284901
C   -2.4595910422   2.1942177255   0.0503067896
C   -3.1325821070  -0.0456888618   0.6372002992
H   -1.6529804439  -1.2431408782   1.5985577237
H   -0.4701098372   2.7419393877   0.5833368232
H   -2.6870886713   3.1623652432  -0.3743359022
H   -3.8835639383  -0.8232867065   0.6652740257
Cl  -4.9875105071   1.4887947313  -0.5869875774
H    0.4554544714   0.4435051452   2.8140197807
*