%chk=000222967.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222967

0 1
O -2.243886 -2.134265 -1.432682
O -3.740497 -0.149370 -0.030231
O 3.673165 -0.219631 -2.113576
O 1.753302 0.663302 -2.845917
O 2.764838 -2.712146 1.954987
O 1.939285 -0.670501 2.360554
O -0.216895 2.878533 1.732525
O 1.602629 2.453017 0.658514
N 0.443259 2.202752 0.959763
C 1.963637 -0.035247 -0.482125
C 0.456869 0.019976 -0.345776
C 2.546606 -1.344192 0.066708
C -0.221887 1.040845 0.337174
C -0.294847 -1.018122 -0.921260
C -1.689148 -1.056272 -0.814001
C -1.631863 1.009538 0.468571
C 2.368288 0.187903 -1.926549
C -2.366733 -0.018651 -0.094433
C 2.357631 -1.459749 1.550210
C -3.691436 -2.279015 -1.418858
C -4.471622 0.876774 0.689707
H 2.443041 0.823774 0.104238
H 2.113158 -2.236594 -0.439394
H 3.641397 -1.400639 -0.169262
H 0.197163 -1.813894 -1.485655
H -2.118812 1.816181 1.030002
H 4.000234 -0.039244 -3.037155
H -4.046433 -2.384277 -0.387879
H -3.824743 -3.203498 -1.993616
H -4.158485 -1.420880 -1.914171
H -4.167938 0.895944 1.740973
H -5.505311 0.521978 0.584850
H -4.339574 1.849411 0.206095
H 2.676007 -2.845643 2.937668


%chk=000222967-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222967

0 1
O -2.234063 -2.461700 -0.536089
O -3.802723 -0.070705 0.088864
O 3.892213 0.883020 -1.399819
O 1.849705 0.998239 -2.496671
O 2.300637 -3.559985 0.959964
O 2.284145 -1.623638 2.243861
O -0.378191 3.491862 0.692808
O 1.656655 2.618085 0.179282
N 0.373901 2.497255 0.339660
C 2.008711 -0.053583 -0.235395
C 0.482531 -0.002221 -0.158376
C 2.621843 -1.478936 -0.204239
C -0.258765 1.186967 0.112433
C -0.280329 -1.167415 -0.365269
C -1.693718 -1.203975 -0.314126
C -1.671619 1.180657 0.190597
C 2.511027 0.671355 -1.491406
C -2.406749 0.003166 -0.010116
C 2.378818 -2.170141 1.125293
C -3.653431 -2.666019 -0.900797
C -4.520387 1.166693 0.424145
H 2.432394 0.497977 0.622036
H 2.275744 -2.123057 -1.028861
H 3.717429 -1.373424 -0.320150
H 0.201169 -2.122367 -0.589097
H -2.158638 2.129671 0.424095
H 4.203134 1.378087 -2.204735
H -4.314003 -2.455587 -0.046467
H -3.701825 -3.728223 -1.183958
H -3.934121 -2.026066 -1.754164
H -4.203840 1.553240 1.411147
H -5.581243 0.879943 0.456880
H -4.363072 1.940866 -0.350391
H 2.177062 -3.991943 1.849061


