! 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    0.1152675749  -0.9986967833   0.8632197082
O   -3.5144152927   0.2062455160   0.0252460780
O   -1.5909780062  -0.7602703535   2.2846976411
O    0.6389958503   0.9256290686  -1.9754446528
N   -0.4224701762   1.5425255586  -0.0552288569
N    1.9168356384   1.3338617233  -0.1546018825
N    3.9960277438   0.7959174588   0.3356575460
C   -0.4968672345   1.2076964608   1.3705303662
C   -1.4776160794   2.0733734338   2.1484639772
C   -1.6991596043   1.6170801881  -0.7710570858
C   -0.7551031667  -0.2896849421   1.5551932804
C    0.6640872002   1.2328682519  -0.8029412743
C   -1.1550389383   3.5559783572   2.0594864573
C   -2.4492928552   0.3311459876  -0.8069857375
C    0.0764662489  -2.4327509006   0.9614197440
C    1.1874039897  -2.9817067053   0.0973055704
C   -2.2729754853  -0.8262164975  -1.4914053448
C    0.9570910896  -2.7814570864  -1.4007782824
C    2.3717110318   2.2980277712   0.7197531219
C    2.9455324286   0.4628677586  -0.3512494339
C   -3.2857823496  -1.7232130025  -1.0407457254
C   -4.0065466309  -1.0406461949  -0.1213668416
C    3.6513415741   1.9469489873   1.0012385945
C    2.1327223346  -3.2149519484  -2.2150362138
C    2.7778784201  -2.4381867394  -3.0782727080
H    0.4840779651   1.3763338631   1.8189122377
H   -2.5083310680   1.8888621932   1.8447305832
H   -1.4141889311   1.7603996327   3.1912053596
H   -1.5007369855   1.9659493995  -1.7812815857
H   -2.3088212814   2.3890416659  -0.3025563139
H   -0.1420072721   3.7658373824   2.4067366618
H   -1.2478195410   3.9475036330   1.0461671588
H   -1.8377248672   4.1262777606   2.6886242160
H   -0.9000883735  -2.7968970412   0.6332503005
H    0.2194972167  -2.7251452551   2.0031761869
H    1.2676297238  -4.0496494911   0.3136665427
H    2.1383830058  -2.5361186080   0.4039751899
H   -1.5097101448  -1.0188753856  -2.2269322170
H    0.7322818317  -1.7366939521  -1.6215817164
H    0.0741022532  -3.3588462470  -1.6954461921
H    1.7813343576   3.1482302549   1.0162164386
H    2.8635789846  -0.3956523845  -0.9994519827
H   -3.4544939129  -2.7375060343  -1.3635236638
H   -4.8653804680  -1.2958119468   0.4779665960
H    4.3474534069   2.4656904378   1.6399450542
H    2.4747932036  -4.2357098431  -2.0650255637
H    3.6302341184  -2.7982736432  -3.6399515273
H    2.4692211163  -1.4154287393  -3.2674275972
*