%chk=000227892.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227892

0 1
O -1.152888 0.494715 0.500313
O -2.431397 1.201652 -1.327776
O 1.964351 2.073535 -0.163360
C -2.843958 -1.034429 -0.325095
C -2.694927 -1.842121 -1.646188
C -4.343460 -0.817904 0.035555
C -2.158264 0.317622 -0.467964
C -1.235380 -2.199718 -1.997789
C -4.564803 -0.106847 1.387224
C -0.457407 1.816582 0.469111
C 0.592061 1.910406 -0.664251
C 2.647701 0.944788 0.335007
C 2.068665 -0.336002 0.512683
C 4.008275 1.172029 0.660847
C 2.873359 -1.388403 1.011729
C 4.792496 0.113207 1.158851
C 4.231171 -1.176205 1.334731
H -2.347519 -1.580606 0.499176
H -3.149197 -1.256789 -2.468902
H -3.289833 -2.770539 -1.542027
H -4.829323 -1.813124 0.053784
H -4.820255 -0.239873 -0.779651
H -0.754689 -2.774170 -1.183696
H -1.190863 -2.812493 -2.916074
H -0.627583 -1.293056 -2.177121
H -4.087790 -0.662968 2.215507
H -5.643155 -0.019784 1.612089
H -4.142405 0.914879 1.380990
H -1.222284 2.603266 0.358173
H 0.028318 1.888282 1.454009
H 0.523448 1.028723 -1.330871
H 0.426874 2.816616 -1.266566
H 1.011135 -0.518513 0.299734
H 4.424010 2.173219 0.510731
H 2.425585 -2.378999 1.151764
H 5.844641 0.293158 1.406658
H 4.843591 -1.997940 1.720465


%chk=000227892-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227892

0 1
O -1.275551 -0.328847 0.323768
O -2.364611 1.238282 -1.020812
O 2.050546 1.250252 -0.483771
C -3.446350 -0.939166 -0.560358
C -3.629223 -1.373245 -2.044259
C -4.769755 -0.364083 0.022456
C -2.349695 0.113339 -0.470759
C -2.380722 -2.039322 -2.660150
C -4.693317 -0.022783 1.525482
C -0.135841 0.617456 0.482361
C 0.847056 0.433283 -0.689923
C 3.077927 0.756825 0.347614
C 3.061714 -0.499297 1.003912
C 4.190212 1.623376 0.488158
C 4.171128 -0.877280 1.797206
C 5.285043 1.232511 1.283408
C 5.284179 -0.021184 1.943667
H -3.129094 -1.812047 0.040575
H -3.914187 -0.482900 -2.637423
H -4.483739 -2.076734 -2.084647
H -5.566320 -1.114333 -0.149364
H -5.044173 0.538815 -0.556605
H -2.071681 -2.927570 -2.078201
H -2.580555 -2.364511 -3.697084
H -1.524140 -1.340410 -2.691064
H -4.414452 -0.909560 2.124587
H -5.668301 0.343782 1.894431
H -3.944910 0.766603 1.723338
H -0.511262 1.654236 0.507146
H 0.319823 0.345810 1.446595
H 1.103938 -0.634928 -0.825502
H 0.401973 0.819260 -1.620345
H 2.213315 -1.184104 0.909345
H 4.173971 2.585352 -0.033263
H 4.156684 -1.849411 2.303036
H 6.142067 1.907275 1.387047
H 6.136606 -0.322546 2.561195


