%chk=000249853.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249853

0 1
O -2.922476 1.934614 -0.269954
O -5.109850 0.025439 0.137610
N 2.544870 -1.355869 0.133014
N 1.274451 -0.887337 0.096669
C -1.104960 -1.217861 0.174728
C -2.714361 0.582459 -0.023718
C -3.771920 -0.346486 0.095506
C -1.386146 0.148251 0.007651
C -2.163376 -2.135822 0.322104
C -3.489421 -1.706124 0.276642
C 0.276430 -1.729598 0.212707
C 3.626245 -0.432688 0.000007
C 4.931824 -0.965590 0.047587
C 3.421981 0.950206 -0.171163
C 6.021535 -0.102248 -0.077204
C 4.528165 1.789398 -0.293211
C 5.828143 1.271610 -0.247189
C -3.612136 2.629469 0.806209
C -5.587689 0.647615 -1.087875
H -0.580954 0.878979 -0.098913
H -1.952428 -3.194138 0.466486
H -4.314332 -2.410036 0.381075
H 0.369830 -2.816696 0.339756
H 2.763072 -2.349233 0.245973
H 5.098754 -2.030340 0.179142
H 2.410247 1.355105 -0.207912
H 7.032548 -0.507812 -0.041225
H 4.376281 2.860806 -0.426236
H 6.682886 1.935831 -0.343551
H -2.954597 2.680472 1.678422
H -4.557008 2.129860 1.048716
H -3.776857 3.621327 0.372736
H -5.614690 -0.102116 -1.883059
H -4.953663 1.497837 -1.364913
H -6.595994 0.968318 -0.806715


%chk=000249853-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249853

0 1
O -3.086095 1.982179 -0.207441
O -5.209146 -0.013607 0.068653
N 2.569611 -1.267563 0.141607
N 1.295857 -0.769381 0.085370
C -1.105463 -1.163029 0.186042
C -2.798341 0.607681 -0.019898
C -3.840737 -0.364971 0.093319
C -1.453399 0.206775 0.009672
C -2.149875 -2.117097 0.345045
C -3.500645 -1.719528 0.294305
C 0.287699 -1.611830 0.227706
C 3.693447 -0.428869 -0.006202
C 4.989940 -1.006331 0.074046
C 3.553613 0.966751 -0.232439
C 6.132782 -0.193295 -0.071013
C 4.707061 1.763995 -0.374817
C 6.002226 1.197190 -0.296357
C -3.767587 2.623804 0.941339
C -5.673715 0.602640 -1.197752
H -0.668524 0.961806 -0.091379
H -1.901150 -3.174344 0.496970
H -4.313367 -2.445486 0.397026
H 0.454836 -2.696883 0.387727
H 2.729999 -2.274114 0.294600
H 5.101504 -2.084475 0.249144
H 2.550610 1.395838 -0.293261
H 7.127449 -0.648847 -0.007361
H 4.592920 2.839983 -0.549752
H 6.891425 1.826020 -0.408787
H -3.106786 2.610957 1.828659
H -4.718663 2.111608 1.175014
H -3.954337 3.662438 0.628613
H -5.594214 -0.129038 -2.023772
H -5.084888 1.505405 -1.438663
H -6.729646 0.861223 -1.026064


