%chk=000221954.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221954

0 1
O -6.748898 -0.789672 1.218930
O -3.515498 -0.582535 -0.527653
O -2.509023 -0.800505 1.487352
C 5.099008 -0.096179 -0.381896
C 5.413254 0.320201 1.069626
C 6.218083 0.393503 -1.325957
C 3.736401 0.460807 -0.842719
C 6.780281 -0.216192 1.515464
C 7.587013 -0.141746 -0.883732
C 7.896310 0.247400 0.568731
C 2.559486 -0.242176 -0.154157
C 1.213554 0.315892 -0.636830
C 0.042169 -0.387603 0.058466
C -5.492262 -0.166214 0.872347
C -5.819244 1.153463 0.156036
C -7.299343 1.048424 -0.249332
C -1.303621 0.161694 -0.429211
C -7.816270 -0.242346 0.400133
C -4.741393 -1.174609 -0.015601
C -2.440803 -0.457179 0.332713
H 5.065272 -1.211883 -0.429574
H 5.397192 1.422743 1.156654
H 4.623744 -0.051405 1.748569
H 6.008071 0.071738 -2.362125
H 6.237712 1.499261 -1.344375
H 3.690850 1.549896 -0.653264
H 3.643460 0.345373 -1.940107
H 6.997095 0.119038 2.546594
H 6.755756 -1.322135 1.551705
H 8.376091 0.246266 -1.554101
H 7.610054 -1.243431 -0.988386
H 8.017202 1.344988 0.643587
H 8.862452 -0.190439 0.879902
H 2.607948 -1.331691 -0.346364
H 2.642910 -0.127374 0.944773
H 1.169660 1.405671 -0.445276
H 1.129905 0.198055 -1.734662
H 0.090667 -1.479973 -0.122798
H 0.117804 -0.265310 1.159741
H -4.975038 -0.031266 1.847311
H -5.653127 2.013610 0.827356
H -5.163047 1.310043 -0.719005
H -7.867923 1.928947 0.095712
H -7.411578 1.018077 -1.346572
H -1.429055 -0.009602 -1.520640
H -1.347602 1.264885 -0.296332
H -8.643552 -0.086072 1.110782
H -8.083173 -1.020351 -0.332152
H -4.502201 -2.098349 0.539480
H -5.286355 -1.413938 -0.944943


%chk=000221954-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221954

0 1
O -6.839270 -0.592343 1.374697
O -3.626973 -0.579283 -0.584554
O -2.468050 -1.160120 1.358898
C 5.225013 -0.069784 -0.399301
C 5.535980 0.095412 1.111754
C 6.316914 0.635711 -1.247225
C 3.817151 0.454746 -0.780965
C 6.962753 -0.386490 1.471075
C 7.743670 0.153603 -0.894313
C 8.035440 0.327064 0.614871
C 2.635497 -0.301725 -0.132157
C 1.261339 0.186232 -0.644163
C 0.074556 -0.541721 0.023268
C -5.605763 0.026254 0.809517
C -6.076859 1.217382 -0.059469
C -7.516637 0.809953 -0.471258
C -1.285188 -0.055587 -0.519278
C -8.023955 0.096942 0.797705
C -4.895657 -1.087144 0.016286
C -2.472094 -0.661094 0.211641
H 5.263805 -1.157717 -0.635406
H 5.433475 1.169571 1.379090
H 4.793503 -0.456938 1.719416
H 6.115028 0.471945 -2.325128
H 6.249522 1.731397 -1.074010
H 3.750694 1.532255 -0.516772
H 3.707938 0.400008 -1.885387
H 7.158694 -0.220499 2.548602
H 7.031079 -1.481196 1.299190
H 8.492257 0.705332 -1.496225
H 7.843969 -0.918847 -1.163074
H 8.038305 1.409192 0.862679
H 9.043419 -0.061480 0.859273
H 2.738351 -1.388234 -0.336040
H 2.668352 -0.185761 0.969521
H 1.173026 1.278449 -0.462379
H 1.212347 0.049788 -1.745181
H 0.166612 -1.633625 -0.139625
H 0.103335 -0.390399 1.118827
H -4.966806 0.340613 1.654367
H -6.100257 2.142741 0.544175
H -5.407541 1.381445 -0.920747
H -8.140943 1.676077 -0.748796
H -7.494304 0.111659 -1.327510
H -1.391053 -0.261775 -1.599834
H -1.359568 1.046739 -0.410581
H -8.413536 0.825009 1.538060
H -8.790009 -0.673271 0.605740
H -4.676576 -1.939779 0.680628
H -5.500589 -1.410907 -0.845702


