! 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    0.9311415430   2.4311704175   0.2939020449
N   -1.1351609204   1.5317136550   0.1704491601
N   -1.5687286563  -0.7394940439   0.4326557581
N   -3.2934044714   0.7486096904   0.0511510554
C    2.1555267758  -0.1279322854   0.8338581257
C    2.9157239753  -0.3287546189  -0.4784730995
C    0.6856335221   0.0910622130   0.6341817129
C    4.4054715687  -0.5606840081  -0.2668831024
C   -0.2434227438  -0.9209078828   0.6416903290
C    0.2317419675   1.4191114729   0.3640857320
C   -1.9888331617   0.4793006484   0.2112748089
C    5.1593720224  -0.7764515814  -1.5699472529
C    0.1696712900  -2.3374057936   0.8982043765
C   -4.2873938875  -0.2787176324  -0.1888543719
C   -4.3576893480  -0.7221113054  -1.6394499391
H    2.5830826510   0.7276292930   1.3630381826
H    2.3247890673  -0.9917055570   1.4810846849
H    2.4879615994  -1.1787215653  -1.0205978288
H    2.7683473722   0.5467187055  -1.1182055776
H    4.8327849640   0.2932731926   0.2676003684
H    4.5467276569  -1.4280251957   0.3853818828
H   -1.4907110200   2.4607159215  -0.0212364309
H    4.7729242516  -1.6418829485  -2.1116217502
H    6.2225463312  -0.9466700164  -1.3953538002
H    5.0697708365   0.0892624902  -2.2289523881
H    0.5597239330  -2.4553949186   1.9109752687
H    0.9581482969  -2.6572000886   0.2159180149
H   -0.6750799192  -3.0122946301   0.7831105530
H   -3.5404966780   1.6795690692  -0.2470482632
H   -4.0788365960  -1.1247769992   0.4616923880
H   -5.2479438967   0.1281475315   0.1237216479
H   -4.6004142539   0.1151265697  -2.2952321109
H   -3.4124098156  -1.1517895267  -1.9717639658
H   -5.1332232462  -1.4783035332  -1.7647362144
*