! 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    0.0572860251  -1.1043412851   0.1478971866
O   -3.6704150317   0.3679184879   0.1462967604
O   -1.4455299484  -1.1191613238   1.8030645327
O    0.1830981344   1.2921246730  -2.2962378374
N   -0.4946492844   1.5862833074  -0.1390606800
N    1.7795784122   1.4397923542  -0.7007861324
N    3.6384758491   2.0546053781   0.3092376874
C   -0.3497918963   0.9592763126   1.1793760178
C   -1.1399188056   1.6630127722   2.2731163677
C   -1.8666169960   1.8176459412  -0.5941037127
C   -0.6746803092  -0.5334434901   1.0850268908
C    0.4316451376   1.4091176803  -1.1168231991
C   -0.7665891636   3.1290301915   2.4206390545
C   -2.6792882657   0.5796351593  -0.7559299746
C   -0.1281603264  -2.5049848280  -0.1124107582
C    0.9028097212  -2.9315494875  -1.1300591131
C   -2.6401759815  -0.4522587881  -1.6355981528
C    2.3487999772  -2.8478254490  -0.6347018227
C    2.7976150197   0.7294353391  -1.2953964287
C    2.3536296453   2.2294386871   0.2540372570
C   -3.6675298338  -1.3594806129  -1.2415000065
C   -4.2554996984  -0.8093222010  -0.1542976994
C    3.9258031422   1.1104271961  -0.6472760699
C    2.6108590149  -3.7309226284   0.5422035470
C    2.9748256024  -3.2998452866   1.7443085266
H    0.6993279486   1.0031380876   1.4765357879
H   -2.2151210926   1.5560156235   2.1247856115
H   -0.9166233654   1.1449544030   3.2065574405
H   -1.8229958506   2.3679566129  -1.5308366986
H   -2.3546675174   2.4829668687   0.1172246559
H   -0.9947052310   3.7142515501   1.5291673870
H   -1.3180779700   3.5751836683   3.2475280106
H    0.2960610824   3.2512597350   2.6360914640
H   -1.1381141550  -2.6644195732  -0.4956572166
H   -0.0230151346  -3.0698756982   0.8162123106
H    0.7901937791  -2.3366139784  -2.0400953283
H    0.6681024119  -3.9621578396  -1.4081777334
H   -1.9560887945  -0.5582755738  -2.4615146188
H    2.6071719001  -1.8161803872  -0.3871548568
H    3.0035301865  -3.1429375879  -1.4597698054
H    2.6274961401   0.0300340725  -2.0955727816
H    1.7896943187   2.9383719326   0.8392050463
H   -3.9313715388  -2.2941014948  -1.7087575386
H   -5.0723403462  -1.1199244162   0.4768794932
H    4.9310565677   0.7586376328  -0.8120798807
H    2.4764300536  -4.7976519718   0.3809014878
H    3.1493652907  -3.9833974306   2.5654386188
H    3.1127597078  -2.2449103817   1.9535550687
*