%chk=000228926.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228926

0 1
O -2.054923 0.977602 -0.296190
O -1.916217 -1.096408 0.789680
C -4.078737 0.020785 0.658606
C -3.496373 0.885851 -0.467633
C -3.341185 -1.322745 0.756900
C -1.375302 -0.285134 -0.265316
C 0.055091 0.031320 0.162642
C 1.084570 -0.441274 -0.868378
C -3.957746 2.334427 -0.413473
C -3.703959 -2.301700 -0.356300
C 2.479586 -0.109608 -0.409044
C 3.064354 1.117986 -0.756116
C 3.200951 -1.023247 0.374759
C 4.358830 1.423432 -0.327769
C 4.495069 -0.712570 0.800367
C 5.077487 0.509587 0.449599
H -3.965190 0.557528 1.623272
H -5.161563 -0.132193 0.514878
H -3.686439 0.430530 -1.465030
H -3.494016 -1.789855 1.759435
H -1.505834 -0.802295 -1.233434
H 0.248561 -0.435755 1.154021
H 0.146371 1.126846 0.336066
H 0.881156 0.029109 -1.852664
H 0.983436 -1.533873 -1.034105
H -5.046471 2.418135 -0.476458
H -3.628322 2.818617 0.516717
H -3.516882 2.915357 -1.234240
H -3.677468 -1.844220 -1.350104
H -2.998727 -3.143644 -0.368061
H -4.708407 -2.713859 -0.212784
H 2.508201 1.835226 -1.356366
H 2.751141 -1.973552 0.655211
H 4.808263 2.376889 -0.599895
H 5.050726 -1.424738 1.407987
H 6.084968 0.749043 0.781322


%chk=000228926-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228926

0 1
O -2.202414 1.287830 0.068983
O -1.710605 -1.053177 0.447007
C -4.043490 -0.239791 0.676102
C -3.649674 1.010123 -0.142497
C -3.142177 -1.455655 0.340969
C -1.388090 0.142234 -0.335326
C 0.073565 0.486156 -0.071319
C 1.041219 -0.615202 -0.582407
C -4.398611 2.274408 0.276469
C -3.450790 -2.122231 -1.015802
C 2.492887 -0.291950 -0.261260
C 3.320494 0.377696 -1.198981
C 3.041078 -0.621089 1.006093
C 4.657325 0.711235 -0.881893
C 4.376327 -0.290526 1.328679
C 5.190456 0.378489 0.384746
H -3.929393 0.004873 1.748504
H -5.105073 -0.495923 0.491349
H -3.807021 0.818252 -1.228946
H -3.239299 -2.214821 1.137286
H -1.581841 -0.066699 -1.415941
H 0.199056 0.628828 1.017110
H 0.295636 1.452305 -0.560258
H 0.912261 -0.729084 -1.677272
H 0.743793 -1.572605 -0.117336
H -5.486796 2.150407 0.127604
H -4.210283 2.493419 1.342292
H -4.056770 3.138915 -0.318093
H -3.452947 -1.405147 -1.855652
H -2.699481 -2.902366 -1.228450
H -4.446509 -2.602091 -0.980771
H 2.914587 0.635419 -2.185698
H 2.415364 -1.143915 1.740577
H 5.282254 1.225672 -1.621188
H 4.782824 -0.556319 2.311427
H 6.227137 0.633931 0.631993


