%chk=000217951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217951

0 1
O 2.215423 -0.736743 1.353855
O -3.780854 0.808200 0.289490
N 2.387822 -0.407140 -0.973746
C 1.560761 -1.057116 0.090410
C 2.967266 0.806141 -0.307590
C 2.903758 0.530869 1.211251
C 0.144851 -0.524053 0.085982
C 3.439255 -1.320872 -1.506344
C -0.522031 -0.342241 1.312153
C -0.515038 -0.247087 -1.114901
C -1.836045 0.105464 1.341505
C -1.840077 0.204089 -1.113784
C -2.484070 0.373873 0.116718
C -4.555238 1.115227 -0.894076
H 1.571037 -2.170078 0.063242
H 2.322739 1.667663 -0.587061
H 3.988701 1.034779 -0.657394
H 3.883861 0.370553 1.683816
H 2.320968 1.282649 1.764687
H 4.135800 -1.710545 -0.748189
H 4.021052 -0.789159 -2.276278
H 2.951298 -2.174612 -2.004197
H 0.011553 -0.552952 2.243300
H 0.008927 -0.375380 -2.064911
H -2.371560 0.252492 2.275610
H -2.338861 0.414565 -2.052255
H -4.673511 0.221583 -1.513359
H -4.093211 1.937428 -1.447765
H -5.515578 1.423301 -0.460670


%chk=000217951-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217951

0 1
O 2.307165 -0.774665 1.370473
O -3.857792 0.817176 0.309349
N 2.400509 -0.505159 -0.989813
C 1.580393 -1.092327 0.075999
C 2.811020 0.808094 -0.402821
C 2.980515 0.528597 1.134374
C 0.156028 -0.539747 0.108770
C 3.543458 -1.364003 -1.399321
C -0.544713 -0.432732 1.338545
C -0.508314 -0.183306 -1.086327
C -1.874743 0.023028 1.371985
C -1.845039 0.277551 -1.070455
C -2.530360 0.377729 0.165589
C -4.583188 1.180317 -0.909162
H 1.585433 -2.194906 0.010944
H 2.005261 1.542436 -0.571174
H 3.731343 1.173850 -0.885431
H 4.035729 0.413198 1.440042
H 2.501836 1.316334 1.745176
H 4.226412 -1.632212 -0.562520
H 4.124794 -0.840842 -2.177780
H 3.153788 -2.297158 -1.841532
H -0.025163 -0.696060 2.265533
H 0.040770 -0.256816 -2.031287
H -2.424962 0.114072 2.313636
H -2.332155 0.550749 -2.011563
H -4.667206 0.318929 -1.600545
H -4.096860 2.027190 -1.432179
H -5.584962 1.481582 -0.569006


