%chk=000180976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180976

0 1
O 4.817056 0.178312 0.795170
O -4.055115 -1.459147 0.769504
O -4.772972 1.564999 -1.621420
C 1.490904 -0.694212 -0.430500
C 0.123104 -1.092207 0.140037
C 2.321043 0.098999 0.628125
C -0.652784 0.220578 0.459608
C -2.037549 -0.121563 1.059523
C 1.582041 1.416601 0.910196
C 0.155358 1.130054 1.411547
C 3.706821 0.204138 -0.120635
C -2.847664 -1.028760 0.093300
C 2.449847 -1.797570 -0.910976
C -0.673017 -1.961549 -0.847126
C 3.837421 -1.123141 -0.922690
C -2.056846 -2.297568 -0.289524
C 2.547710 -0.671793 1.935080
C -2.886581 1.115812 1.397937
C -3.398482 -0.305563 -1.140982
C -3.247464 1.936082 0.161809
C -3.905679 1.101090 -0.914192
C 3.825719 1.386073 -0.964640
C 3.946611 2.357746 -1.666072
H 1.308238 -0.015319 -1.304584
H 0.269042 -1.669097 1.085260
H -0.808310 0.774525 -0.497741
H -1.872382 -0.690254 2.007503
H 1.539617 2.040988 -0.003101
H 2.127962 2.018248 1.658957
H 0.203180 0.671509 2.417952
H -0.378223 2.091308 1.543355
H 2.174686 -2.174068 -1.908444
H 2.436763 -2.667078 -0.232191
H -0.119242 -2.897479 -1.055279
H -0.767515 -1.448540 -1.823627
H 4.607164 -1.757280 -0.442523
H 4.191234 -0.935842 -1.949169
H -2.636890 -2.890041 -1.023583
H -1.960073 -2.954214 0.595966
H 3.212660 -1.532594 1.784575
H 3.023797 -0.040730 2.692645
H 1.607274 -1.047846 2.352231
H -2.364176 1.755050 2.134232
H -3.822302 0.775586 1.894281
H -4.239406 -0.913569 -1.555342
H -2.633242 -0.277093 -1.943844
H -2.345762 2.419110 -0.269030
H -3.922396 2.773846 0.438629
H 4.853373 0.999444 1.324548
H -3.859784 -1.938631 1.592175
H 4.051329 3.190753 -2.269033


%chk=000180976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180976

0 1
O 4.913214 0.452915 0.781848
O -4.152037 -1.436914 0.659711
O -5.038011 1.556462 -1.466295
C 1.541041 -0.712758 -0.377071
C 0.132867 -1.087126 0.120327
C 2.366021 0.079542 0.683845
C -0.644413 0.219839 0.486477
C -2.065604 -0.130241 1.033375
C 1.617624 1.391807 1.013356
C 0.159646 1.112280 1.473640
C 3.741829 0.216420 -0.095694
C -2.876014 -1.004343 0.023100
C 2.504135 -1.839053 -0.842411
C -0.658204 -1.918511 -0.914989
C 3.929869 -1.206335 -0.730301
C -2.075221 -2.256593 -0.402512
C 2.625404 -0.728056 1.982162
C -2.923336 1.090915 1.452788
C -3.360776 -0.192573 -1.201657
C -3.341143 1.964175 0.242820
C -4.020747 1.142641 -0.851479
C 3.699508 1.272629 -1.131832
C 3.716135 2.164248 -1.984045
H 1.400219 -0.024098 -1.241345
H 0.227305 -1.704852 1.041278
H -0.756397 0.795732 -0.460223
H -1.907783 -0.756576 1.941973
H 1.593635 2.035088 0.111470
H 2.145960 1.961872 1.804686
H 0.160594 0.635041 2.475167
H -0.354283 2.084389 1.597822
H 2.280624 -2.169737 -1.871452
H 2.412525 -2.727128 -0.188261
H -0.115517 -2.856469 -1.139374
H -0.719148 -1.357300 -1.870783
H 4.587360 -1.779075 -0.053623
H 4.438235 -1.138936 -1.705627
H -2.654267 -2.812583 -1.164301
H -1.982419 -2.923589 0.482429
H 3.087064 -1.709916 1.782787
H 3.318422 -0.173717 2.637787
H 1.689654 -0.902525 2.538979
H -2.386112 1.709832 2.193235
H -3.838939 0.717325 1.946629
H -4.078564 -0.798232 -1.780868
H -2.498215 0.029019 -1.861227
H -2.441391 2.438905 -0.204088
H -4.022772 2.778566 0.543341
H 4.968322 1.422356 0.984338
H -3.931981 -2.039673 1.416653
H 3.732182 2.933017 -2.734664


