%chk=000286371.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286371

0 1
O -0.175714 -3.030394 1.888005
O 0.911570 -2.290305 0.097570
O 1.754007 2.364435 0.237404
N 0.879261 0.348909 -0.433764
C -2.832379 0.249872 -0.076459
C -4.694112 1.714185 -0.447727
C -5.226870 0.325623 0.020488
C -3.193649 1.577676 -0.477408
C -4.000679 -0.518304 0.245938
C -1.512947 -0.229920 0.016335
C -0.499725 0.729187 -0.377099
C -2.205997 2.469887 -0.791146
C -3.859140 -1.804932 0.694991
C -1.403486 -1.576570 0.516006
C -0.856507 2.023580 -0.738929
C -2.539821 -2.311597 0.839558
C -0.117462 -2.259968 0.746052
C 1.944374 1.211643 -0.112299
C 3.314226 0.626755 -0.273460
C 3.617628 -0.701334 0.049744
C 4.323706 1.486067 -0.737487
C 4.925281 -1.171897 -0.104945
C 5.626838 1.009801 -0.893988
C 5.927741 -0.320037 -0.578809
H -5.009029 2.516361 0.243881
H -5.092071 1.980713 -1.443135
H -5.890576 -0.125979 -0.739145
H -5.826067 0.417613 0.944706
H -2.414836 3.496782 -1.080683
H -4.708554 -2.431284 0.952548
H -0.071205 2.748840 -0.987826
H -2.426195 -3.327912 1.235358
H 1.077679 -0.612758 -0.757589
H 0.673444 -3.524819 2.054671
H 2.841659 -1.376493 0.423014
H 4.082210 2.527536 -0.963538
H 5.160391 -2.205384 0.144159
H 6.408549 1.675152 -1.256798
H 6.944859 -0.690733 -0.700393


%chk=000286371-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286371

0 1
O -0.276942 -3.432318 1.737507
O 0.951241 -2.182584 0.270493
O 1.832563 2.551141 -0.631449
N 0.894779 0.398533 -0.369557
C -2.861471 0.254604 -0.039646
C -4.760614 1.669662 -0.562615
C -5.272130 0.372178 0.153966
C -3.248578 1.499415 -0.624738
C -4.015864 -0.434429 0.446351
C -1.503625 -0.228106 0.073686
C -0.492196 0.695224 -0.437558
C -2.254649 2.337607 -1.120506
C -3.869673 -1.658566 1.097740
C -1.394848 -1.543267 0.726699
C -0.899774 1.927903 -1.013860
C -2.560852 -2.185467 1.224466
C -0.159032 -2.343033 0.864721
C 1.963348 1.289826 -0.499033
C 3.342152 0.673233 -0.455708
C 3.616450 -0.693056 -0.730101
C 4.421453 1.549995 -0.167272
C 4.946680 -1.168087 -0.705499
C 5.746389 1.071406 -0.133856
C 6.014292 -0.292377 -0.402376
H -5.042318 2.579860 -0.001304
H -5.197612 1.773993 -1.573240
H -5.970867 -0.201683 -0.483164
H -5.817989 0.605507 1.087083
H -2.487706 3.305127 -1.577474
H -4.725834 -2.211499 1.496407
H -0.110842 2.597260 -1.359356
H -2.426420 -3.151538 1.716380
H 1.122299 -0.597240 -0.179743
H 0.588901 -3.921646 1.731374
H 2.813433 -1.391654 -0.981089
H 4.190490 2.604406 0.015317
H 5.148498 -2.221791 -0.928245
H 6.568967 1.757710 0.096013
H 7.044302 -0.666250 -0.383012


