! 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    0.3189612145  -0.6564211922   0.8026216853
O   -3.4733221702   0.1586163715   0.1510263496
O   -1.2663277889  -0.4749995344   2.3674527945
O    0.4886359414   0.9808259573  -2.1267515731
N   -0.4928536266   1.7403967576  -0.2128056310
N    1.8410114696   1.7193571814  -0.4715937409
N    3.9824505656   1.4069798688  -0.0608096766
C   -0.4439575379   1.5139579334   1.2361186393
C   -1.4551517509   2.3406973694   2.0168000522
C   -1.8123815049   1.6323197983  -0.8391494098
C   -0.5457489895   0.0175816990   1.5366348277
C    0.5648325310   1.4313296747  -1.0046572958
C   -1.2883759129   3.8356831680   1.7992088904
C   -2.4389596019   0.2859556409  -0.7191166112
C    0.3401128607  -2.0879908520   0.8882419981
C    1.2378202457  -2.5958696477  -0.2171834093
C   -2.1769357768  -0.9172416577  -1.2880358426
C    1.2826955518  -4.1233341760  -0.2235506292
C    2.2500508091   2.7921697205   0.2919171615
C    2.9328031716   0.9256363054  -0.6550421494
C   -3.1030418391  -1.8435976033  -0.7238184629
C   -3.8613212973  -1.1330999390   0.1425434384
C    3.5687477656   2.5785864051   0.5258139498
C    2.1940659975  -4.6485053282  -1.2854466701
C    1.8190273090  -5.4295267428  -2.2913649231
H    0.5424022323   1.8055875180   1.6028175684
H   -2.4792008584   2.0354170701   1.7991937708
H   -1.2960935351   2.1173816624   3.0723283955
H   -1.7121329956   1.9113380888  -1.8852502325
H   -2.4641547070   2.3819972851  -0.3918381001
H   -1.9901333140   4.3856859093   2.4254443192
H   -0.2843250246   4.1688864473   2.0668833189
H   -1.4741260449   4.1356669373   0.7674443932
H   -0.6745829131  -2.4760585339   0.7758604854
H    0.7147171240  -2.3883552943   1.8696079020
H    2.2485353002  -2.2001112514  -0.0827977529
H    0.8736919262  -2.2330678098  -1.1824181853
H   -1.4102987350  -1.1221934879  -2.0171382084
H    0.2765474831  -4.5275914672  -0.3622626482
H    1.6320638133  -4.4714492764   0.7541604288
H    1.6008738991   3.6107039169   0.5521049187
H    2.8899949916   0.0083322952  -1.2199560619
H   -3.1901429483  -2.8962434688  -0.9380100252
H   -4.6837299665  -1.3958153246   0.7880199217
H    4.2465474002   3.2098273986   1.0770042949
H    3.2358079355  -4.3475506481  -1.2105561961
H    2.5268075750  -5.7762534043  -3.0333440351
H    0.7916618570  -5.7548784750  -2.4099403277
*