%chk=000299454.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299454

0 1
O 3.917156 -2.011134 -1.510057
C -0.180555 0.550334 0.017030
C -0.242803 -0.889186 0.046677
C -1.361964 1.267300 -0.198510
C -1.468774 -1.554175 0.126997
C 1.140568 1.177084 0.188331
C -2.625963 0.604075 -0.099056
C -2.680526 -0.801624 0.109088
C 2.318772 0.414318 -0.014356
C 0.998278 -1.639522 -0.092530
C 2.199075 -1.025720 -0.184478
C -1.346815 2.711061 -0.592950
C -1.519040 -3.048434 0.207960
C 1.295695 2.516309 0.616844
C -3.867149 1.329196 -0.182781
C -3.966189 -1.429048 0.263607
C 3.586669 1.038234 0.029249
C 3.446324 -1.835285 -0.411708
C -5.073055 0.701558 -0.038112
C -5.124503 -0.707064 0.195606
C 2.546983 3.111121 0.696056
C 3.700128 2.378807 0.364085
C 4.056028 -2.409029 0.835328
H 0.926687 -2.726525 -0.163984
H -1.247405 3.371450 0.282265
H -0.510882 2.930027 -1.276856
H -2.260731 3.012833 -1.125588
H -2.531234 -3.432096 0.411529
H -1.196275 -3.505893 -0.739524
H -0.874178 -3.434086 1.009760
H 0.419954 3.092567 0.922739
H -3.826082 2.405540 -0.360724
H -3.991856 -2.507587 0.440246
H 4.482219 0.462272 -0.204329
H -6.007748 1.256645 -0.095764
H 2.640988 4.146738 1.018494
H -6.095672 -1.183534 0.315314
H 4.675569 2.861461 0.388079
H 3.388406 -3.140851 1.309120
H 4.253061 -1.629800 1.585002
H 5.006440 -2.918339 0.620902


%chk=000299454-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299454

0 1
O 4.728419 -1.260835 -0.388097
C -0.116296 0.671359 0.059090
C -0.126823 -0.773507 0.257219
C -1.338075 1.321659 -0.267056
C -1.341346 -1.509618 0.379975
C 1.185674 1.358805 0.195381
C -2.576229 0.601069 -0.107278
C -2.586644 -0.808235 0.270910
C 2.426479 0.618812 0.127741
C 1.135999 -1.471324 0.234058
C 2.371423 -0.851517 0.079054
C -1.399693 2.712326 -0.888783
C -1.288295 -3.015129 0.599121
C 1.258877 2.754329 0.493480
C -3.841321 1.264776 -0.289186
C -3.861576 -1.451553 0.468491
C 3.664269 1.328362 0.214817
C 3.584038 -1.723888 -0.089256
C -5.053552 0.606424 -0.091953
C -5.063713 -0.769978 0.295371
C 2.485085 3.426887 0.610563
C 3.696423 2.714028 0.433794
C 3.443367 -3.242142 0.084595
H 1.103440 -2.560581 0.287421
H -1.717600 3.499693 -0.177044
H -0.426660 3.010033 -1.306017
H -2.126780 2.716371 -1.720191
H -2.281386 -3.454695 0.762809
H -0.853554 -3.532590 -0.277744
H -0.668837 -3.276512 1.476472
H 0.340262 3.307917 0.693624
H -3.855474 2.323712 -0.560029
H -3.897250 -2.501285 0.770608
H 4.591962 0.763005 0.117932
H -5.999356 1.143533 -0.222691
H 2.500020 4.495190 0.853174
H -6.016625 -1.284670 0.459246
H 4.659022 3.232520 0.502574
H 2.795618 -3.680969 -0.696675
H 3.018852 -3.508470 1.069363
H 4.447455 -3.683313 -0.005882


