! 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    1.4909664797   1.9164839850   1.1918356826
O   -1.4470492377   0.2916322213  -2.2970699988
O    0.0435113107  -0.3950725321   1.3700513579
O    4.2935871478  -1.0826533348  -0.8105194920
O   -4.1934303419  -0.3434300418   1.2933667452
O    4.6493938664  -0.0905730956   3.7113740741
O   -4.2723591834  -3.1244248584  -2.5075465103
O    0.0814372691  -1.3676128665  -0.6355640846
N    2.8805371957   0.4427886496   0.1413407364
N   -2.8110659942   0.0326229960  -0.4853584115
N    3.0465679425   0.9413134424   2.4444441432
N   -2.8858875410  -1.3992955729  -2.3635946925
C    0.0192979263   1.0050035481  -0.5069772971
C    0.7508401350   2.0598746764   0.0425053926
C   -0.7448434431   1.2753730325  -1.6446606021
C    0.7288078268   3.3249013656  -0.5161250936
C   -0.7935229333   2.5395431776  -2.2021052657
C   -0.0497049070   3.5611299982  -1.6361251878
C    0.0569430471  -0.3733264579   0.0485616048
C    2.5192192099   1.0492859530   1.2457009179
C   -2.4252943496  -0.3901143293  -1.6705322094
C    3.8885672875  -0.4152966618   0.2579316818
C   -3.7605135152  -0.6851319383   0.0922341510
C    4.0594949178   0.0888240321   2.5403369690
C   -3.8479658913  -2.1069824712  -1.7713306772
C    4.5377828901  -0.6433792974   1.4607268648
C   -4.3360664377  -1.8003307933  -0.5115330376
C    3.6130337988  -0.8748245713  -2.0474640503
C   -3.6008863721   0.7818832067   1.9409886112
C    4.1740357273   0.6319839189   4.8444938923
C   -5.2742576150  -3.9824170919  -1.9756707031
H    1.3157141006   4.1166550792  -0.0709931694
H   -1.4068089805   2.7169623797  -3.0748895303
H   -0.0769630302   4.5499675793  -2.0719259936
H    5.3556403641  -1.3425566120   1.5543408813
H   -5.1055161483  -2.3665961387  -0.0095944243
H    0.0796252700  -1.3118458433   1.6869037143
H    4.0827243450  -1.5505911158  -2.7567061092
H    2.5529821463  -1.1137035399  -1.9690500315
H    3.7252237698   0.1498265782  -2.4005930862
H   -2.5268966927   0.6521284644   2.0689779992
H   -3.7884597808   1.7045645881   1.3929833463
H   -4.0761712370   0.8415270288   2.9158822127
H    4.2846997964   1.7078136488   4.7124401045
H    3.1321393955   0.4006155903   5.0634272149
H    4.7930970178   0.3095872984   5.6770638532
H   -6.2018165299  -3.4429896232  -1.7778275716
H   -5.4603036908  -4.7378781085  -2.7336255159
H   -4.9352791547  -4.4733496442  -1.0620560813
*