%chk=000226019.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226019

0 1
O 0.757230 0.956045 1.601858
O 3.166527 -0.139566 1.742475
O 4.980845 -0.095804 -1.192683
O 5.665977 -2.556534 -0.280908
O -6.326595 -0.657410 1.189471
C 0.908463 1.028313 0.153206
C 1.816316 -0.162330 -0.324507
C -0.482593 0.960998 -0.500707
C -1.152013 -0.378824 -0.076353
C 3.167376 0.235146 0.363853
C 1.176158 -1.475457 0.137237
C 1.793223 2.278907 0.001720
C -0.257331 -1.592674 -0.407756
C 3.237020 1.779530 0.223742
C -2.584395 -0.511886 -0.688976
C -1.345465 2.162236 -0.090132
C 2.013435 -0.167543 -1.844289
C -2.762329 2.052680 -0.661932
C -3.385564 0.732989 -0.303583
C 4.394921 -0.488416 -0.209658
C -2.567457 -0.620025 -2.225206
C -3.225929 -1.785672 -0.163991
C -4.575752 0.669307 0.311190
C 4.848711 -1.727878 0.540814
C -4.409336 -1.831289 0.450079
C -5.218465 -0.605703 0.697232
H -0.356615 0.966903 -1.611660
H -1.282702 -0.347916 1.040508
H 1.190328 -1.537607 1.243883
H 1.775707 -2.340925 -0.206657
H 1.515137 3.041087 0.753449
H 1.669922 2.743394 -0.989321
H -0.217569 -1.739738 -1.505913
H -0.718052 -2.515011 -0.000063
H 3.897467 2.065819 -0.615846
H 3.681258 2.219535 1.134161
H -0.875388 3.103720 -0.434229
H -1.385545 2.239416 1.016694
H 2.567476 -1.057764 -2.171244
H 1.059513 -0.167341 -2.383563
H 2.590034 0.699015 -2.194742
H -2.746321 2.166374 -1.766883
H -3.377933 2.900228 -0.293869
H 0.086789 0.280019 1.857440
H -2.058144 -1.530008 -2.563134
H -3.588424 -0.650455 -2.628435
H -2.055144 0.231368 -2.687325
H -2.649065 -2.696192 -0.346827
H 2.417419 0.342397 2.216271
H -5.150333 1.559116 0.574116
H 4.005896 -2.380920 0.843873
H 5.407442 -1.438222 1.456280
H -4.860891 -2.759296 0.804045
H 6.251661 -1.997638 -0.851298


%chk=000226019-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226019

0 1
O 0.792387 0.996439 1.665123
O 3.197106 -0.112219 1.836938
O 4.995405 -0.174304 -1.230167
O 5.984476 -2.418179 -0.143524
O -6.307420 -0.662427 1.445176
C 0.930010 1.025783 0.157379
C 1.833643 -0.181679 -0.300294
C -0.489236 0.968702 -0.461804
C -1.174284 -0.395404 -0.094607
C 3.210474 0.222547 0.407725
C 1.180342 -1.503653 0.159671
C 1.813658 2.263599 -0.090473
C -0.268372 -1.627211 -0.392911
C 3.276010 1.772504 0.176370
C -2.634583 -0.504860 -0.738897
C -1.361208 2.176326 -0.045299
C 2.032755 -0.192898 -1.841772
C -2.787440 2.077289 -0.649137
C -3.416675 0.741444 -0.310085
C 4.418169 -0.523352 -0.159421
C -2.575535 -0.570234 -2.305032
C -3.303107 -1.789645 -0.280055
C -4.590236 0.663562 0.390779
C 4.939370 -1.740179 0.595936
C -4.476993 -1.845849 0.409423
C -5.209188 -0.615483 0.797854
H -0.360246 1.011144 -1.560788
H -1.376080 -0.389951 1.003903
H 1.185331 -1.566127 1.264277
H 1.769316 -2.369402 -0.198692
H 1.518008 3.084163 0.582812
H 1.690785 2.615366 -1.130272
H -0.222333 -1.799020 -1.484303
H -0.725244 -2.531064 0.048898
H 3.940446 1.994842 -0.675787
H 3.711723 2.236809 1.076635
H -0.883848 3.116211 -0.380118
H -1.430058 2.225946 1.058322
H 2.624818 -1.075793 -2.139523
H 1.073118 -0.246775 -2.381486
H 2.580047 0.692220 -2.203628
H -2.718286 2.202787 -1.749113
H -3.418388 2.901103 -0.270829
H 0.057491 0.380445 1.913659
H -2.080221 -1.496713 -2.644541
H -3.599776 -0.567005 -2.716331
H -2.032186 0.286975 -2.737413
H -2.808661 -2.723263 -0.579568
H 2.368032 0.329005 2.193680
H -5.126008 1.572403 0.691955
H 4.105368 -2.439799 0.799755
H 5.304317 -1.394917 1.584623
H -4.934639 -2.799561 0.696822
H 6.204547 -1.842151 -0.929941


