%chk=000116092.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116092

0 1
O 3.191989 0.383539 0.456551
O 2.834057 -1.487821 -0.806248
N -1.285123 0.096803 0.606836
N 1.402567 -0.958242 0.971939
C -0.767156 -0.983148 -0.296623
C -0.165336 1.003315 1.028233
C 0.295941 -1.813325 0.449485
C 0.895799 0.180676 1.787554
C -2.377298 0.882299 -0.059309
C -3.673133 0.053537 -0.052383
C -4.850577 0.864015 -0.608869
C 2.479065 -0.745281 0.087879
C -6.140188 0.046422 -0.615486
C 4.464167 0.608337 -0.232210
C 4.213641 1.158496 -1.620610
H -0.346835 -0.592848 -1.248651
H -1.621073 -1.642767 -0.568447
H -0.583538 1.774220 1.711415
H 0.307713 1.541470 0.179003
H -0.159008 -2.325465 1.328646
H 0.715753 -2.599925 -0.218278
H 1.745051 0.830393 2.096470
H 0.452438 -0.255357 2.713313
H -2.121258 1.191957 -1.094782
H -2.540486 1.817930 0.520031
H -3.890661 -0.281425 0.982155
H -3.539494 -0.875276 -0.639318
H -4.622383 1.208254 -1.636647
H -4.995904 1.782240 -0.006211
H -6.979013 0.632460 -1.007568
H -6.047527 -0.850857 -1.237971
H -6.413988 -0.283292 0.393602
H 4.934818 1.338693 0.451075
H 5.029072 -0.340942 -0.247228
H 5.147859 1.460287 -2.107728
H 3.737158 0.399706 -2.262097
H 3.547693 2.029323 -1.598024


%chk=000116092-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116092

0 1
O 3.476225 0.337024 0.513974
O 3.038299 -1.615610 -0.730760
N -1.434611 0.253567 0.443525
N 1.334185 -0.510044 0.446522
C -0.933568 -0.771091 -0.507742
C -0.372294 1.253247 0.725464
C 0.298122 -1.491774 0.071518
C 0.869602 0.573188 1.334265
C -2.695812 0.899484 -0.004833
C -3.913712 -0.047133 0.005826
C -5.231995 0.695813 -0.313046
C 2.631227 -0.679695 0.013958
C -6.456001 -0.244993 -0.327408
C 4.890948 0.260639 0.056416
C 5.069687 0.942786 -1.303343
H -0.661648 -0.313119 -1.494170
H -1.725026 -1.518946 -0.687306
H -0.766501 1.994200 1.445757
H -0.066570 1.803406 -0.202231
H -0.007092 -2.061809 0.972306
H 0.733333 -2.189026 -0.662052
H 1.684289 1.297587 1.474999
H 0.595236 0.144180 2.319593
H -2.585593 1.349265 -1.027354
H -2.899448 1.737710 0.690733
H -3.979656 -0.524390 1.003125
H -3.781116 -0.862793 -0.732657
H -5.141333 1.200536 -1.296901
H -5.390407 1.498502 0.435915
H -7.387229 0.305445 -0.555176
H -6.337178 -1.038248 -1.089602
H -6.586328 -0.740076 0.653260
H 5.448920 0.777660 0.854508
H 5.189470 -0.801293 0.009456
H 6.139885 0.946212 -1.583738
H 4.510637 0.399176 -2.083332
H 4.717856 1.988816 -1.269970


