%chk=000182015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182015

0 1
O 0.668336 -0.258252 1.157778
O -1.001370 4.898112 0.656626
O 2.738971 -1.128395 0.879465
N 2.363856 0.900314 -0.217425
C -2.662393 1.888486 -0.162763
C -3.745523 2.860047 -0.557870
C -2.699031 0.476933 -0.234911
C -1.532549 2.558364 0.313867
C -3.160713 4.257945 -0.267460
C -1.570405 -0.279686 0.200687
C -1.756819 4.034598 0.296040
C -0.445786 0.474371 0.647308
C -0.391971 1.859690 0.717412
C -1.642510 -1.737313 0.157778
C -3.862997 -0.197484 -0.765223
C -2.794491 -2.354203 -0.395538
C -3.902945 -1.547910 -0.858376
C -0.617707 -2.585635 0.657124
C -2.879059 -3.768811 -0.483817
C -0.715663 -3.961628 0.569337
C -1.852148 -4.563145 -0.014216
C 1.856822 -0.053477 0.549203
C 3.924617 -0.756521 0.220320
C 3.703129 0.483744 -0.463970
C 5.133015 -1.436436 0.203563
C 4.739455 1.059367 -1.199598
C 6.153584 -0.836553 -0.542246
C 5.960088 0.379084 -1.225289
H -4.012619 2.749790 -1.626137
H -4.672979 2.683465 0.019204
H -3.775306 4.826305 0.453550
H -3.109826 4.885313 -1.175823
H 0.504508 2.389706 1.055186
H -4.702496 0.414177 -1.095017
H -4.770566 -2.062237 -1.273166
H 0.269311 -2.156829 1.134939
H -3.767150 -4.219682 -0.925037
H 0.084994 -4.592891 0.954317
H -1.910773 -5.648602 -0.082478
H 5.272883 -2.373081 0.735209
H 4.590885 2.000754 -1.726114
H 7.127264 -1.324505 -0.595810
H 6.790780 0.802309 -1.791025


%chk=000182015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182015

0 1
O 0.764090 -0.613910 -0.122544
O -0.589702 4.713761 -0.393871
O 2.939725 -1.315325 -0.092921
N 2.619651 0.990646 -0.213778
C -2.697132 1.818216 -0.221639
C -3.799682 2.871515 -0.268535
C -2.841868 0.400496 -0.146116
C -1.425998 2.403029 -0.263472
C -3.040881 4.228176 -0.342359
C -1.667026 -0.455585 -0.112204
C -1.534969 3.883938 -0.340463
C -0.390507 0.231583 -0.158126
C -0.246457 1.619500 -0.232324
C -1.864219 -1.914086 -0.036076
C -4.165867 -0.172104 -0.104070
C -3.220843 -2.430121 0.002393
C -4.349831 -1.534875 -0.032315
C -0.807130 -2.885972 0.002842
C -3.460880 -3.836887 0.074729
C -1.070394 -4.261115 0.073587
C -2.404572 -4.751027 0.110247
C 2.051039 -0.200622 -0.148750
C 4.219920 -0.694350 -0.130475
C 4.018274 0.712919 -0.204104
C 5.476512 -1.304047 -0.102584
C 5.126524 1.579614 -0.253687
C 6.584873 -0.421410 -0.152964
C 6.411630 0.988590 -0.226941
H -4.458206 2.722806 -1.145196
H -4.448600 2.814018 0.625833
H -3.261599 4.888084 0.515902
H -3.279913 4.803986 -1.254469
H 0.741402 2.086139 -0.264959
H -5.026280 0.503796 -0.130400
H -5.357819 -1.964208 -0.000733
H 0.227601 -2.556055 -0.022828
H -4.499411 -4.187362 0.101356
H -0.230270 -4.963612 0.100590
H -2.598670 -5.827498 0.165287
H 5.599356 -2.388457 -0.045720
H 4.990315 2.662979 -0.310185
H 7.597496 -0.837478 -0.134465
H 7.297019 1.631911 -0.263890


