! 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    0.6201600651  -0.6462337523   0.7439527330
O   -3.2339241407  -0.0520376922   0.3827370281
O   -0.8487224558  -0.5608741296   2.4264763763
O    0.4664430437   1.0389707641  -2.1703784694
N   -0.3871544463   1.7157478761  -0.1671844895
N    1.9173177987   1.8051108652  -0.6147805476
N    4.0947948039   1.5741493148  -0.3757404338
C   -0.2075597098   1.4789362871   1.2699412811
C   -1.1926839906   2.2464587984   2.1392487136
C   -1.7459426579   1.5458436940  -0.6875825902
C   -0.2128872417  -0.0233544253   1.5553344369
C    0.6154433450   1.4703823168  -1.0481417489
C   -1.1150172068   3.7497032792   1.9282924121
C   -2.2835469658   0.1610726619  -0.5635227258
C    0.6605963304  -2.0809060873   0.7536706248
C    1.4435493334  -2.5136267156  -0.4662215962
C   -2.0046464762  -1.0076820904  -1.1930605367
C    1.4736966243  -4.0353051120  -0.6325175913
C    2.3411274809   2.8795314420   0.1381135079
C    3.0222534123   1.0593146568  -0.8960440252
C   -2.8284028607  -2.0024064020  -0.5887113171
C   -3.5501560834  -1.3634841096   0.3606891032
C    3.6815581625   2.7169460554   0.2652920468
C    0.1114740657  -4.6299081084  -0.8213284073
C   -0.3786687202  -5.0320626917  -1.9879336741
H    0.7891750154   1.8189892284   1.5586370248
H   -2.2146652002   1.8924185366   1.9987977693
H   -0.9402703102   2.0212133404   3.1759814433
H   -1.7503064155   1.8618711242  -1.7278225476
H   -2.4010141461   2.2411740622  -0.1642578649
H   -0.1111909370   4.1283954973   2.1278332564
H   -1.3876986617   4.0483485287   0.9156310790
H   -1.7951397491   4.2603704546   2.6090977987
H   -0.3605740489  -2.4648772964   0.7306529496
H    1.1372236736  -2.4275531273   1.6737103274
H    2.4697158327  -2.1449503926  -0.3906440916
H    1.0029543180  -2.0663490759  -1.3612727633
H   -1.2913807900  -1.1490650017  -1.9880090587
H    1.9555024863  -4.4850795530   0.2405096739
H    2.1011507031  -4.2706061004  -1.4942206102
H    1.6822968736   3.6670463994   0.4619770335
H    2.9729764955   0.1514799589  -1.4755113219
H   -2.8701088538  -3.0516837294  -0.8317657347
H   -4.3015403429  -1.6919481386   1.0603338258
H    4.3742725660   3.3656405732   0.7761964355
H   -0.5136368973  -4.7164656853   0.0627804715
H   -1.3777944911  -5.4402523590  -2.0717967666
H    0.2019195098  -4.9766889368  -2.9021944714
*