%chk=000186463.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186463

0 1
O 4.870465 1.078386 0.662156
O 5.056848 -2.468095 -0.009031
O 2.259791 -2.615686 0.216727
O -5.657892 -1.730279 0.497486
O -4.011833 -2.817930 -0.367465
N -4.509145 -1.797601 0.082052
C 4.954810 -0.041355 -0.269450
C 4.058333 1.136315 -0.558322
C 4.273116 -1.302294 0.227247
C 2.587855 0.985283 -0.362429
C 2.883666 -1.504655 -0.443600
C 1.981782 -0.289920 -0.328313
C 0.577766 -0.384218 -0.241567
C 1.828477 2.147248 -0.220598
C -0.202224 0.802875 -0.090569
C 0.436714 2.072295 -0.064383
C -1.642425 0.730673 0.038549
C -0.143301 -1.644705 -0.316016
C -2.306625 -0.534227 -0.016271
C -0.359391 3.271948 0.117482
C -2.392157 1.924969 0.220961
C -1.490896 -1.714627 -0.210067
C -1.704592 3.202038 0.256788
C -3.711567 -0.557072 0.124718
C -3.792525 1.858201 0.365382
C -4.439918 0.634974 0.322989
H 5.935190 -0.162420 -0.736033
H 4.374864 1.922729 -1.252027
H 4.178035 -1.290429 1.346022
H 2.996379 -1.783120 -1.520432
H 2.321877 3.121319 -0.219574
H 5.308679 -2.555279 -0.953158
H 0.438010 -2.566302 -0.466724
H 2.940674 -3.304096 0.433699
H 0.164734 4.229182 0.142541
H -1.997453 -2.687947 -0.278839
H -2.308696 4.099106 0.399328
H -4.366538 2.773267 0.513314
H -5.530187 0.579048 0.444527


%chk=000186463-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186463

0 1
O 4.924397 1.065052 0.820805
O 5.136138 -2.525935 -0.077452
O 2.387024 -2.782705 0.012422
O -5.845079 -1.660338 0.511194
O -4.102142 -2.887038 -0.273274
N -4.609892 -1.765177 0.129308
C 4.985378 -0.025938 -0.212187
C 4.081066 1.136141 -0.467155
C 4.315455 -1.329132 0.202186
C 2.605494 0.973621 -0.309902
C 2.932744 -1.518836 -0.483656
C 1.996381 -0.319051 -0.279501
C 0.567716 -0.413162 -0.171884
C 1.825262 2.140987 -0.204429
C -0.227435 0.793178 -0.056609
C 0.420098 2.082062 -0.063102
C -1.665337 0.727279 0.051552
C -0.151487 -1.669201 -0.195915
C -2.347615 -0.553417 0.018655
C -0.364474 3.287215 0.063002
C -2.420679 1.952309 0.185991
C -1.531174 -1.738131 -0.114708
C -1.737874 3.223362 0.189991
C -3.778257 -0.539999 0.147450
C -3.836143 1.894292 0.311972
C -4.503926 0.667345 0.300303
H 5.951228 -0.107757 -0.728901
H 4.419105 1.948028 -1.122612
H 4.180667 -1.348100 1.295755
H 3.120033 -1.611250 -1.583667
H 2.320475 3.119472 -0.221137
H 5.419598 -2.518732 -1.028802
H 0.428646 -2.589143 -0.267656
H 3.163583 -3.402508 0.090997
H 0.154162 4.252599 0.061049
H -2.024106 -2.708221 -0.155436
H -2.335141 4.135876 0.293280
H -4.403589 2.825131 0.415512
H -5.589599 0.607422 0.403659


