%chk=000233298.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233298

0 1
O -2.245283 -2.818705 0.354666
O -0.841051 -4.547317 0.729461
O 5.128876 -0.061905 2.344558
O 5.134866 1.836050 0.140261
O 5.433122 1.797647 -2.126456
C -5.793497 3.455035 -1.162536
C -7.021055 2.876255 -0.451838
C -4.504549 2.871177 -0.570692
C -7.090447 1.356853 -0.648357
C -4.553970 1.375369 -0.411532
C -5.773919 0.667858 -0.417403
C -3.351798 0.680777 -0.223564
C -5.766075 -0.724860 -0.232881
C -3.351985 -0.711680 -0.041224
C -4.570346 -1.413598 -0.045122
C -2.096841 -1.422514 0.150875
C -0.791166 -1.050410 0.179333
C 0.036402 -2.232223 0.416782
C -0.933222 -3.373137 0.535444
C 1.363893 -2.375050 0.531647
C 2.335095 -1.277161 0.403117
C 3.311346 -1.118443 1.393732
C 2.305518 -0.415530 -0.707167
C 4.261202 -0.086735 1.283175
C 4.216458 0.777050 0.164322
C 3.245558 0.607530 -0.827148
C 6.177456 0.939023 2.356184
C 5.710159 2.269606 -1.057754
C 6.654611 3.366416 -0.712390
H -5.782832 4.557383 -1.076441
H -5.844737 3.231448 -2.246174
H -7.945385 3.348517 -0.833163
H -6.977637 3.113780 0.629231
H -4.312789 3.324058 0.426427
H -3.642488 3.162307 -1.204757
H -7.427323 1.128443 -1.683479
H -7.868177 0.932412 0.019388
H -2.408149 1.225929 -0.217402
H -6.705497 -1.276889 -0.236178
H -4.568362 -2.497176 0.099600
H -0.381990 -0.062901 0.067988
H 1.800941 -3.361635 0.740765
H 3.353176 -1.776326 2.262220
H 1.553202 -0.554811 -1.483339
H 3.237192 1.266627 -1.698946
H 6.854117 0.781580 1.511972
H 6.669626 0.731896 3.314330
H 5.739750 1.942871 2.334649
H 6.589478 3.672331 0.343781
H 6.457240 4.257378 -1.331889
H 7.695183 3.061099 -0.910779


%chk=000233298-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233298

0 1
O -2.311415 -2.507814 1.024494
O -0.669075 -4.022836 1.745812
O 6.053424 -1.050452 1.129063
O 5.695329 1.806776 0.656783
O 4.981368 3.119068 -1.166912
C -6.241917 3.086341 -1.971722
C -7.470751 2.611132 -1.165380
C -4.941907 2.749926 -1.208458
C -7.446692 1.074463 -1.010962
C -4.897232 1.307738 -0.705839
C -6.087688 0.529263 -0.583021
C -3.660429 0.739188 -0.332566
C -5.989985 -0.792791 -0.077113
C -3.564672 -0.586913 0.169227
C -4.757728 -1.353774 0.296614
C -2.278517 -1.161718 0.543887
C -0.985090 -0.668461 0.526762
C -0.083936 -1.703073 0.999441
C -0.941276 -2.891259 1.315740
C 1.285250 -1.810152 1.184496
C 2.352322 -0.835725 0.990753
C 3.693779 -1.297749 1.111953
C 2.150740 0.548917 0.695970
C 4.805785 -0.446424 0.941033
C 4.568223 0.931402 0.666141
C 3.244167 1.413700 0.543194
C 7.221149 -0.595197 0.351366
C 5.806870 2.887909 -0.266320
C 7.068175 3.661092 0.040580
H -6.294542 4.175569 -2.157061
H -6.239055 2.587063 -2.961424
H -8.408608 2.921438 -1.663055
H -7.458270 3.091968 -0.166593
H -4.855200 3.432668 -0.337086
H -4.058030 2.949827 -1.844237
H -7.718886 0.613177 -1.984045
H -8.220871 0.744034 -0.291727
H -2.751920 1.345729 -0.437951
H -6.903984 -1.391504 0.022386
H -4.696764 -2.374637 0.683824
H -0.716425 0.325211 0.180115
H 1.612021 -2.803323 1.527948
H 3.900619 -2.350047 1.334069
H 1.143669 0.960446 0.619188
H 3.079809 2.473097 0.334747
H 6.957011 -0.452436 -0.713367
H 7.951290 -1.413349 0.447971
H 7.634835 0.338133 0.766261
H 7.057311 4.006947 1.088363
H 7.148715 4.521881 -0.638257
H 7.952901 3.011231 -0.079786


