%chk=000181533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181533

0 1
O 4.996015 0.345387 0.300633
O 5.045917 0.160108 -1.956305
N 7.735885 0.020617 0.207342
C -2.471822 -0.200345 -0.026047
C -3.804148 0.537446 0.163257
C -1.276124 0.735865 0.195630
C -4.999878 -0.399000 -0.057210
C 0.055646 -0.002512 0.005258
C -6.332421 0.338424 0.132116
C 1.251201 0.934030 0.226500
C -7.527815 -0.598086 -0.088104
C 2.579077 0.191963 0.040130
C -8.861618 0.138222 0.101176
C 3.763444 1.130458 0.247393
C -10.055106 -0.789496 -0.116048
C 5.555011 -0.063051 -0.886150
C 6.848977 -0.839568 -0.613183
C 6.494618 -2.193293 0.006911
H -2.424886 -0.636512 -1.042684
H -2.413964 -1.057432 0.672254
H -3.863045 1.393423 -0.536477
H -3.851428 0.975088 1.179016
H -1.323887 1.172467 1.211828
H -1.335189 1.592398 -0.503649
H -4.941458 -1.255447 0.641808
H -4.953265 -0.836111 -1.073340
H 0.113752 -0.860408 0.702593
H 0.102391 -0.437629 -1.012303
H -6.391281 1.194397 -0.567539
H -6.379332 0.775987 1.147920
H 1.200528 1.373833 1.241538
H 1.193671 1.786547 -0.479095
H -7.470413 -1.454846 0.610371
H -7.482571 -1.035984 -1.103738
H 2.633997 -0.251438 -0.976828
H 2.649913 -0.661149 0.742977
H -8.921528 0.994048 -0.599387
H -8.908884 0.575889 1.117518
H 3.856073 1.884500 -0.553687
H 3.775096 1.611109 1.241633
H -10.047153 -1.629067 0.588248
H -11.001920 -0.255373 0.020813
H -10.059566 -1.211152 -1.127602
H 7.356172 -0.995695 -1.608611
H 5.954897 -2.078350 0.956631
H 5.853983 -2.786818 -0.658355
H 7.391637 -2.791336 0.203344
H 7.291002 0.267802 1.090122
H 8.603598 -0.461211 0.423085


%chk=000181533-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181533

0 1
O 5.131438 0.387205 0.401145
O 5.190264 0.396732 -1.932351
N 7.793887 -0.156999 0.442417
C -2.491037 -0.211611 0.119977
C -3.842842 0.536947 0.099587
C -1.270181 0.733059 0.190162
C -5.065192 -0.406361 0.037065
C 0.081711 -0.015129 0.197863
C -6.416522 0.343266 0.012385
C 1.300112 0.932105 0.280599
C -7.640097 -0.598924 -0.043845
C 2.648478 0.174663 0.258369
C -8.991060 0.152297 -0.068991
C 3.838095 1.136109 0.373514
C -10.208158 -0.796407 -0.121295
C 5.705874 0.083786 -0.836329
C 6.990134 -0.728103 -0.652051
C 6.603087 -2.232160 -0.478808
H -2.411127 -0.846940 -0.787016
H -2.468981 -0.904554 0.987169
H -3.866803 1.225599 -0.770926
H -3.920555 1.177151 1.003509
H -1.346595 1.362680 1.101563
H -1.297313 1.430975 -0.672681
H -5.043213 -1.092987 0.909313
H -4.986737 -1.048820 -0.865116
H 0.106343 -0.720546 1.054558
H 0.162756 -0.635163 -0.719002
H -6.440122 1.026809 -0.862266
H -6.493083 0.989107 0.912441
H 1.227657 1.539508 1.207205
H 1.264093 1.646724 -0.567469
H -7.618553 -1.282079 0.831194
H -7.565570 -1.245492 -0.943511
H 2.737338 -0.397271 -0.684588
H 2.683497 -0.552312 1.093248
H -9.012312 0.832960 -0.944671
H -9.063531 0.799904 0.828825
H 3.860901 1.843395 -0.475153
H 3.830973 1.686606 1.329052
H -10.225292 -1.466677 0.758964
H -11.160819 -0.235412 -0.137678
H -10.175390 -1.433419 -1.025549
H 7.550073 -0.617050 -1.597606
H 6.004076 -2.370139 0.439279
H 6.021151 -2.603476 -1.342935
H 7.521771 -2.841029 -0.394356
H 7.269110 -0.038304 1.313993
H 8.702064 -0.611524 0.572500


