%chk=000225061.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225061

0 1
O -0.679723 0.539637 2.487754
O 0.678987 0.555846 -2.487703
O -0.046743 -2.248872 1.583417
O 0.052638 -2.239318 -1.599729
O -4.771086 1.854468 0.855621
O 4.766910 1.871239 -0.847416
N -3.686765 0.136494 -0.227609
N 3.686809 0.144180 0.225535
N -2.735870 1.173063 1.739535
N 2.733462 1.190012 -1.735517
N -2.677287 -1.775887 -1.247116
N 2.682009 -1.776703 1.233627
C -1.577107 -0.677799 0.633461
C 1.579203 -0.670203 -0.640471
C -2.614516 -0.769738 -0.302302
C 2.616794 -0.765124 0.294794
C -1.563438 0.318173 1.686043
C 1.563161 0.331900 -1.687186
C -0.418995 -1.572771 0.649749
C 0.423257 -1.567858 -0.662072
C -3.797046 1.128825 0.827219
C 3.794676 1.143024 -0.823380
C -4.800338 0.099619 -1.211568
C 4.800445 0.104212 1.209301
C -2.834986 2.182970 2.830358
C 2.830219 2.206674 -2.820257
H -4.433535 0.291729 -2.233494
H -5.536233 0.902144 -0.974437
H -5.344039 -0.858750 -1.165326
H 5.346489 -0.852534 1.157425
H 4.433152 0.289395 2.232331
H 5.534382 0.909919 0.976938
H -1.825724 2.387825 3.237630
H -3.472073 1.803434 3.646993
H -3.267997 3.125175 2.451754
H 3.258439 3.148506 -2.435340
H 1.820828 2.409570 -3.228206
H 3.470476 1.834696 -3.637888
H -1.840509 -2.348923 -1.438165
H -3.310614 -1.714293 -2.031985
H 1.846661 -2.352962 1.421183
H 3.315124 -1.718194 2.018901


%chk=000225061-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225061

0 1
O -1.133590 0.322923 2.951432
O 1.133296 0.341755 -2.952343
O 0.086629 -1.775008 1.666324
O -0.083663 -1.764998 -1.679107
O -5.337215 1.471267 1.302255
O 5.335157 1.487643 -1.296955
N -3.920776 0.205205 -0.073397
N 3.920475 0.212446 0.071990
N -3.245475 0.853197 2.126214
N 3.244544 0.870471 -2.124467
N -2.602126 -1.134971 -1.473557
N 2.603901 -1.138111 1.464489
C -1.716076 -0.499719 0.730004
C 1.717320 -0.492471 -0.735635
C -2.716515 -0.473686 -0.292375
C 2.717467 -0.470010 0.287068
C -1.959813 0.203649 2.003820
C 1.959815 0.218441 -2.005521
C -0.419814 -1.192224 0.642661
C 0.422544 -1.188076 -0.651960
C -4.230455 0.882986 1.145711
C 4.229268 0.896883 -1.143609
C -4.971242 0.225800 -1.114055
C 4.970782 0.229745 1.112861
C -3.552557 1.576969 3.382331
C 3.550744 1.601128 -3.376806
H -4.603317 0.711955 -2.035767
H -5.808905 0.813917 -0.712790
H -5.330205 -0.796090 -1.335554
H 5.332105 -0.792499 1.328863
H 4.601673 0.710078 2.037145
H 5.807148 0.821897 0.714838
H -2.681012 1.463844 4.041942
H -4.454299 1.150266 3.850653
H -3.740100 2.642039 3.168978
H 3.736881 2.665327 -3.157943
H 2.679381 1.490288 -4.037042
H 4.453079 1.178021 -3.847237
H -1.684031 -1.592069 -1.705651
H -3.331158 -1.080034 -2.180729
H 1.687071 -1.599370 1.693072
H 3.332559 -1.086003 2.172250


