%chk=000228331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228331

0 1
O 3.108956 0.431251 0.101165
O 3.827249 -1.699431 -0.131854
C -1.030901 0.844590 -0.487461
C -2.576808 0.705762 -0.543067
C -0.488527 0.946873 0.951828
C -0.349514 -0.324446 -1.230241
C 1.033508 1.129866 0.958793
C 1.174664 -0.168380 -1.237905
C 1.701844 -0.012465 0.190381
C -3.093944 -0.486185 0.287167
C -3.247661 2.014730 -0.106103
C -4.511285 -0.908904 -0.124068
C -5.007133 -2.096134 0.698798
C 4.084678 -0.519615 -0.063111
C 5.414623 0.149255 -0.128422
H -0.762508 1.790856 -1.021791
H -2.849414 0.525979 -1.614898
H -0.758957 0.042440 1.529188
H -0.967965 1.795758 1.474875
H -0.720622 -0.381501 -2.270630
H -0.628877 -1.287043 -0.757120
H 1.314006 2.099660 0.500989
H 1.418544 1.168926 1.994687
H 1.650866 -1.045313 -1.719422
H 1.472397 0.709739 -1.843463
H 1.682382 -0.973062 0.747659
H -3.077300 -0.234662 1.364185
H -2.405848 -1.347354 0.170613
H -4.338333 1.945167 -0.188533
H -2.925020 2.858515 -0.724694
H -3.017577 2.262300 0.935912
H -4.530412 -1.167385 -1.200865
H -5.207973 -0.055687 -0.005449
H -4.360012 -2.971943 0.575200
H -5.038106 -1.861122 1.768713
H -6.018653 -2.391241 0.398429
H 5.338932 1.243871 -0.033100
H 5.915186 -0.073272 -1.083488
H 6.072913 -0.215593 0.675303


%chk=000228331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228331

0 1
O 3.210228 0.499945 0.109423
O 3.787270 -1.753823 -0.105366
C -1.064948 0.868147 -0.507782
C -2.617760 0.687908 -0.556486
C -0.490306 0.988552 0.929341
C -0.309341 -0.243475 -1.284062
C 1.037937 1.243887 0.916678
C 1.220198 0.003788 -1.301334
C 1.751817 0.133668 0.136386
C -3.126341 -0.521460 0.278708
C -3.343475 1.997626 -0.157488
C -4.582970 -0.938878 -0.033813
C -5.028898 -2.182795 0.765359
C 4.123600 -0.548494 -0.021372
C 5.546690 -0.029300 -0.041023
H -0.843505 1.828169 -1.028275
H -2.871162 0.478662 -1.620368
H -0.696447 0.054608 1.490178
H -0.990367 1.807756 1.479517
H -0.685065 -0.297431 -2.324700
H -0.511139 -1.232016 -0.823068
H 1.255786 2.217341 0.434789
H 1.434739 1.291926 1.947869
H 1.739899 -0.822557 -1.819273
H 1.442938 0.942028 -1.847494
H 1.662423 -0.841075 0.655263
H -3.044736 -0.286095 1.360269
H -2.471725 -1.398842 0.099916
H -4.433889 1.923125 -0.317930
H -2.976404 2.852617 -0.756229
H -3.181386 2.238310 0.910495
H -4.676052 -1.143862 -1.120390
H -5.271919 -0.099740 0.185342
H -4.384269 -3.052996 0.538030
H -4.967175 -1.996896 1.854486
H -6.071828 -2.464013 0.529436
H 5.576266 1.063651 0.073832
H 6.027471 -0.316703 -0.992426
H 6.121244 -0.506466 0.771763


