%chk=000272009.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272009

0 1
O -4.081927 2.202455 -1.226593
O -1.611266 -3.147025 0.932756
O -3.902129 1.133507 0.757053
O -2.414847 -2.256930 -0.983825
N 1.681287 0.853071 0.685310
C -1.134650 0.323587 -0.077145
C -0.708699 1.535836 0.783543
C 0.074332 -0.128425 -0.928316
C 0.563879 1.263815 1.598857
C 1.320956 -0.390174 -0.072546
C -2.275516 0.741554 -1.042454
C -1.632895 -0.816822 0.845640
C 2.942723 0.651706 1.475988
C -3.465878 1.333559 -0.355858
C -1.940974 -2.087125 0.118336
C 4.126124 0.461206 0.556314
C 5.044560 -0.569504 0.802941
C 4.330926 1.330633 -0.526287
C -5.297100 2.885239 -0.782959
C -1.853010 -4.502601 0.439826
C 6.160594 -0.724148 -0.025166
C 5.445147 1.169122 -1.352193
C 6.363357 0.143065 -1.102538
C -4.935517 4.036280 0.132593
C -0.769099 -4.894281 -0.542933
H -0.529783 2.405344 0.118220
H -1.528279 1.832473 1.467052
H -0.174237 -1.032632 -1.515748
H 0.313970 0.659623 -1.672264
H 0.355063 0.513734 2.393050
H 0.871955 2.201205 2.113037
H 2.177740 -0.640172 -0.739350
H 1.160985 -1.270501 0.586267
H -2.616423 -0.159056 -1.620840
H -1.895120 1.441907 -1.817030
H -2.560038 -0.481031 1.381516
H -0.894365 -1.006761 1.654858
H 2.867945 -0.187604 2.202604
H 3.118221 1.574301 2.080013
H 4.894987 -1.251121 1.637090
H 3.605828 2.122562 -0.721017
H -5.957781 2.145915 -0.296306
H -5.716320 3.212365 -1.752014
H -2.863298 -4.539228 -0.005217
H -1.816150 -5.076876 1.383377
H 6.872682 -1.523662 0.170792
H 5.599720 1.844181 -2.192108
H 7.231997 0.020835 -1.745501
H -4.170341 4.682826 -0.315529
H -5.809237 4.658445 0.358904
H -4.533818 3.669971 1.089281
H -0.839076 -5.953594 -0.816187
H 0.232470 -4.719400 -0.130579
H -0.846574 -4.308248 -1.471313


%chk=000272009-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272009

0 1
O -4.120138 2.241944 -1.252682
O -1.845364 -3.245756 0.916741
O -3.831238 1.298597 0.855331
O -2.429838 -2.212865 -1.086976
N 1.775641 0.703922 0.771025
C -1.094444 0.317898 -0.010306
C -0.602277 1.454239 0.941185
C 0.118735 -0.122277 -0.886646
C 0.693492 1.105074 1.701082
C 1.372698 -0.458111 -0.059021
C -2.189917 0.864330 -0.972565
C -1.641009 -0.863954 0.852091
C 3.065017 0.490860 1.467106
C -3.425271 1.462722 -0.323039
C -2.008215 -2.125503 0.093729
C 4.264496 0.457396 0.523231
C 5.362041 -0.398885 0.784883
C 4.321946 1.319057 -0.601450
C -5.397976 2.866609 -0.787121
C -2.215296 -4.572459 0.331024
C 6.501478 -0.390107 -0.052640
C 5.456119 1.327045 -1.442659
C 6.552618 0.474587 -1.169904
C -5.127780 4.216304 -0.116010
C -1.014645 -5.196090 -0.386273
H -0.408440 2.356019 0.327037
H -1.395477 1.707516 1.669018
H -0.160034 -0.986495 -1.518519
H 0.379288 0.711216 -1.568357
H 0.490582 0.304599 2.460627
H 1.031155 1.995648 2.265126
H 2.206840 -0.704501 -0.740172
H 1.194748 -1.365795 0.575944
H -2.531319 0.038964 -1.629039
H -1.757083 1.634365 -1.637649
H -2.553453 -0.509767 1.372748
H -0.922301 -1.146684 1.638031
H 3.059765 -0.444000 2.086058
H 3.191846 1.333304 2.177868
H 5.324959 -1.077543 1.646794
H 3.460746 1.965305 -0.805154
H -5.899105 2.167540 -0.094676
H -5.985106 2.973665 -1.713204
H -3.065054 -4.428489 -0.359053
H -2.528551 -5.164661 1.205831
H 7.342860 -1.058825 0.162660
H 5.487323 1.996888 -2.309989
H 7.433171 0.481349 -1.822427
H -4.578039 4.890943 -0.794861
H -6.086103 4.699774 0.150657
H -4.541186 4.081078 0.807944
H -1.276432 -6.210515 -0.740707
H -0.149688 -5.281135 0.294064
H -0.723684 -4.590938 -1.261333


