! 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    3.5941769825   1.1631586107  -0.4152906913
O    0.5146419355   1.6551041471  -0.7408704917
O    2.3722426831   0.5505615171   1.3502991289
N    0.5552640624  -0.5764202478  -0.5490321618
C    1.9982698344  -0.5228307699  -0.7844610026
C   -0.1293470388  -1.8291925946  -0.5695245688
C   -0.4407279346  -2.3967212957  -1.8097233031
C   -0.4514136504  -2.4664333774   0.6310187656
C   -0.0982775978   0.6088572561  -0.5681685446
C   -1.5980894453   0.6090081359  -0.3704169052
C    2.6776105105  -1.8708903205  -0.5789452363
C    2.6363835090   0.4688961668   0.1764140500
C   -1.0790869095  -3.6319288910  -1.8314741800
C   -1.0905842593  -3.7023506830   0.5683825492
C   -2.0472208277   1.8079337690   0.4175737599
C   -0.0893355409  -1.7021412563  -3.0911177443
C   -0.1744093274  -1.8352268001   1.9607588787
C   -1.3991846547  -4.2827750346  -0.6501992616
C   -1.5454705242   2.0297205717   1.6995901192
C   -2.9857134756   2.6951115054  -0.0951576176
C   -1.9776100034   3.1103116305   2.4520614379
C   -3.4231566043   3.7791992474   0.6576431983
C   -2.9213589824   3.9894272853   1.9330670692
C    4.3448286865   2.0687375236   0.3967532286
H    2.1928778009  -0.1865506423  -1.8060268695
H   -1.9447315983  -0.3051431532   0.1113767029
H   -2.0577542807   0.6161978696  -1.3633459952
H    3.7507386789  -1.7584365388  -0.7306847234
H    2.5167433331  -2.2627707943   0.4243409543
H    2.3281696677  -2.6086684459  -1.2983124948
H   -1.3261906956  -4.0865704840  -2.7826023457
H   -1.3460046610  -4.2134440844   1.4883844214
H   -0.5078216894  -2.2321839751  -3.9446426882
H   -0.4664572368  -0.6793299527  -3.1262363868
H    0.9902136011  -1.6509817662  -3.2453843020
H    0.7726342602  -1.3027284501   1.9876077413
H   -0.9529326657  -1.1129467283   2.2186983229
H   -0.1680512821  -2.5841691613   2.7502677143
H   -1.8924262544  -5.2454797070  -0.6803790932
H   -0.8060553061   1.3550840116   2.1175973134
H   -3.3828570716   2.5394378824  -1.0909468532
H   -1.5776601969   3.2675306543   3.4452707207
H   -4.1562210717   4.4592081584   0.2437727644
H   -3.2605454626   4.8323287637   2.5207576683
H    5.0818623165   2.5188035504  -0.2610549890
H    4.8554254134   1.5499799621   1.2069646327
H    3.7083360210   2.8502127978   0.8093692313
*