! 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   -0.5258639866  -2.5274500844   0.0513971138
O    2.3987120189   2.8935872548   0.4344735565
O    0.3734599762   3.6607962807  -0.1266320059
N   -0.8555073247  -0.2799334116   0.1208733965
N    1.2051418867  -1.2147366054   0.6935464024
N   -1.5428212436   1.7759149697  -0.2003986338
N    0.7809407125   1.4146947247   0.2739153850
C    2.8498541261  -2.5249490811  -0.6166613607
C    2.1901108421  -2.2782104484   0.7340404189
C   -2.2382692933  -0.3398804382  -0.1196745442
C    3.8521289021  -3.6739930450  -0.5936411459
C   -2.6561777069   0.9732284983  -0.3179689727
C   -0.4538463795   1.0417198670   0.0707629980
C   -0.0367218060  -1.4347427272   0.2757515674
C   -3.1567436835  -1.3781903799  -0.1543037467
C   -3.9728460348   1.3083801556  -0.5667331656
C    5.0330523137  -3.4496680237   0.3408876384
C   -4.4840856752  -1.0480011120  -0.4025037249
C   -4.8894346624   0.2681568787  -0.6084422591
C    1.1044117551   2.7275166808   0.1679917879
C    2.9133631027   4.2198214643   0.3628283075
H    3.3500852328  -1.6081156178  -0.9431092077
H    2.0746988856  -2.7388906809  -1.3571794618
H    2.9310264388  -1.9866613106   1.4768658455
H    1.7203987486  -3.1903384796   1.1025502433
H    3.3386063269  -4.5999608898  -0.3190995947
H    4.2236516634  -3.8253532890  -1.6095812659
H    1.5228869350  -0.2489086140   0.7250712547
H   -2.8752271781  -2.4052841081   0.0037934160
H   -4.2706089193   2.3367538960  -0.7173376837
H    5.7742919737  -4.2421285561   0.2318839323
H    5.5323506237  -2.5022911326   0.1277742085
H    4.7335616873  -3.4346541196   1.3895976683
H   -5.2183687350  -1.8412006729  -0.4347499565
H   -5.9313788800   0.4848445740  -0.7997804015
H    2.4014795666   4.8922574604   1.0495841333
H    3.9578627193   4.1503067491   0.6508124140
H    2.8509433075   4.6214319364  -0.6476295402
H   -1.5017288853   2.7811804561  -0.2950816532
*