%chk=000297900.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297900

0 1
O 3.452410 1.301046 -0.123663
O 0.900089 -1.930219 -0.960387
O 0.741745 3.128325 0.375410
O -1.386978 -0.536937 2.901095
O 2.723146 -0.031276 1.551535
O -0.959917 -2.966172 -0.212184
C -0.060862 0.340503 0.667233
C 1.161008 0.823868 -0.151594
C 0.057764 -1.145153 1.092266
C -1.353694 0.592629 -0.086436
C 0.982780 2.322330 -0.487489
C -0.877280 -1.440042 2.282320
C 2.474877 0.627546 0.568548
C -0.124336 -2.109428 -0.051137
C -2.448462 1.121368 0.614383
C -1.482765 0.308554 -1.453370
C 1.139456 2.669877 -1.932431
C -1.044758 -2.875968 2.652029
C -3.651260 1.375817 -0.049337
C -2.686745 0.564143 -2.114577
C -3.771922 1.101789 -1.415373
C 4.808409 1.318945 0.436180
C 0.970727 -2.836059 -2.109334
C 4.869753 2.306379 1.580176
C -0.103397 -2.500918 -3.120829
H -0.078225 0.947115 1.623645
H 1.222610 0.210670 -1.097808
H 1.110829 -1.295205 1.503459
H -2.361994 1.320052 1.687303
H -0.647050 -0.127955 -2.002650
H 1.064393 3.757576 -2.089607
H 2.118970 2.350082 -2.318602
H 0.361180 2.201024 -2.551068
H -1.607757 -3.423536 1.870106
H -1.612591 -2.983187 3.588873
H -0.090638 -3.401326 2.779057
H -4.496148 1.787204 0.501672
H -2.782011 0.339577 -3.175030
H -4.708987 1.302004 -1.931271
H 5.389563 1.634516 -0.449336
H 5.074009 0.291131 0.740322
H 0.890646 -3.872388 -1.735137
H 1.994817 -2.625942 -2.469099
H 4.437522 3.277562 1.301085
H 4.303301 1.946300 2.452951
H 5.901160 2.481808 1.907730
H -1.105596 -2.741469 -2.727683
H -0.106149 -1.433926 -3.378253
H 0.027561 -3.070334 -4.048892


%chk=000297900-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297900

0 1
O 3.364638 1.056404 -0.302757
O 1.119333 -2.124611 -0.733637
O 0.540407 3.178951 0.715833
O -1.552359 -0.637343 2.976269
O 2.550566 0.269425 1.734890
O -1.056352 -2.880301 -0.378020
C -0.221464 0.347714 0.705419
C 0.985863 0.909328 -0.099266
C -0.050219 -1.160347 1.123750
C -1.537911 0.627231 -0.032986
C 0.821235 2.459009 -0.272119
C -1.002961 -1.535774 2.289039
C 2.342441 0.686213 0.572827
C -0.104354 -2.141624 -0.041667
C -2.615114 1.237392 0.658422
C -1.712199 0.304489 -1.404692
C 1.024558 3.005872 -1.669997
C -1.170648 -3.006273 2.625877
C -3.832321 1.516785 -0.001338
C -2.928791 0.579540 -2.066747
C -3.995055 1.188681 -1.366976
C 4.763426 0.984070 0.234237
C 1.249120 -3.070802 -1.889294
C 5.102830 2.245796 1.031731
C 0.694555 -2.461148 -3.179361
H -0.249583 0.895695 1.664681
H 1.056644 0.459339 -1.103425
H 0.968489 -1.235339 1.560741
H -2.492952 1.481470 1.718295
H -0.899510 -0.169273 -1.968732
H 0.988842 4.106142 -1.665438
H 1.990396 2.653406 -2.075461
H 0.225224 2.615845 -2.329833
H -1.834628 -3.474948 1.876446
H -1.613264 -3.106760 3.628604
H -0.205775 -3.544545 2.579411
H -4.651756 1.990547 0.550638
H -3.045662 0.316323 -3.124336
H -4.939598 1.404590 -1.878908
H 5.380266 0.883084 -0.672827
H 4.848413 0.076887 0.857623
H 0.720165 -4.005083 -1.631583
H 2.334421 -3.250259 -1.948926
H 4.970517 3.151837 0.415713
H 4.465003 2.326848 1.927282
H 6.157380 2.203154 1.361818
H -0.396059 -2.314694 -3.107363
H 1.180732 -1.495155 -3.403839
H 0.892276 -3.145486 -4.025217


