%chk=000297807.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297807

0 1
O -3.713591 -0.276467 0.473164
O -5.156672 0.883984 -0.961649
N -2.746103 0.735179 0.284409
N -5.927165 -0.474307 0.779572
C 3.376252 0.010666 0.103355
C 1.072894 -0.512109 -0.907127
C 2.025141 -0.708987 0.287906
C 4.143591 0.054123 1.441797
C 4.235930 -0.679218 -0.975669
C 0.548169 0.934329 -1.008131
C -0.113276 -1.497105 -0.849972
C 5.495402 0.763010 1.279514
C 5.585985 0.030733 -1.143529
C 6.347193 0.099993 0.187902
C -0.430330 1.298169 0.114515
C -1.106196 -1.173980 0.272701
C -1.533281 0.269865 0.221025
C -4.977984 0.152925 -0.023063
C -7.320109 -0.584739 0.299065
H 3.179832 1.062892 -0.221072
H 1.646813 -0.730634 -1.844944
H 1.536269 -0.348402 1.212967
H 2.198516 -1.789605 0.450205
H 4.303744 -0.973735 1.817738
H 3.539976 0.571904 2.209112
H 3.693234 -0.691355 -1.939272
H 4.401976 -1.738610 -0.704408
H 0.049021 1.073491 -1.987990
H 1.399956 1.643279 -0.995486
H 0.256440 -2.532700 -0.730123
H -0.645593 -1.476350 -1.822620
H 6.041590 0.753911 2.240969
H 5.332048 1.828996 1.030167
H 5.426749 1.052847 -1.537099
H 6.196511 -0.496596 -1.899744
H 7.292023 0.658275 0.054673
H 6.634852 -0.920053 0.506866
H -0.844946 2.315079 -0.060663
H 0.098684 1.350796 1.089503
H -0.651777 -1.380744 1.263787
H -1.990216 -1.843071 0.199200
H -5.633148 -1.122663 1.504021
H -8.010560 -0.441136 1.148149
H -7.522895 -1.561554 -0.170045
H -7.536551 0.205374 -0.447680


%chk=000297807-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297807

0 1
O -3.757785 -0.185133 0.302461
O -5.367215 1.384593 -0.540683
N -2.714748 0.847172 0.019374
N -5.958505 -0.661231 0.458576
C 3.383145 0.009039 0.198692
C 1.075327 -0.745596 -0.832693
C 2.063924 -0.792229 0.366287
C 4.248147 -0.098237 1.483417
C 4.206613 -0.446799 -1.034040
C 0.587815 0.686452 -1.188247
C -0.156256 -1.664203 -0.595384
C 5.581293 0.678011 1.361533
C 5.543508 0.323129 -1.161265
C 6.389986 0.211283 0.128447
C -0.366136 1.277605 -0.113117
C -1.143684 -1.110785 0.473789
C -1.517347 0.321418 0.151927
C -5.079160 0.307463 0.015565
C -7.405827 -0.525818 0.282344
H 3.132656 1.084406 0.060251
H 1.609437 -1.146041 -1.718457
H 1.558439 -0.438546 1.288711
H 2.326127 -1.856278 0.551559
H 4.468479 -1.170026 1.677456
H 3.670589 0.270117 2.355323
H 3.618192 -0.315619 -1.962842
H 4.415828 -1.534261 -0.939040
H 0.047805 0.652440 -2.155206
H 1.446209 1.369537 -1.328155
H 0.177531 -2.674731 -0.288271
H -0.707825 -1.782411 -1.549346
H 6.179926 0.551003 2.284650
H 5.365926 1.762786 1.266366
H 5.328236 1.393809 -1.360682
H 6.116629 -0.053965 -2.030772
H 7.319241 0.805694 0.030842
H 6.697782 -0.845419 0.273189
H -0.764434 2.256384 -0.431147
H 0.191680 1.434816 0.832212
H -0.658728 -1.130586 1.470470
H -2.045382 -1.740842 0.532484
H -5.566782 -1.484846 0.914830
H -7.932603 -0.541001 1.254586
H -7.813448 -1.330249 -0.358431
H -7.596208 0.443395 -0.205567


