%chk=000218114.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218114

0 1
O 3.178327 -2.698504 0.046492
O 1.925660 1.269041 -2.259383
N 1.397225 -1.470083 0.686220
N -0.369589 -0.112935 1.561311
N 0.778555 0.597125 -0.404616
C 2.917291 -0.581346 -1.105444
C 4.242732 0.087793 -0.680829
C 2.565872 -1.669725 -0.122033
C 1.848712 0.509520 -1.325804
C 0.592076 -0.294943 0.558750
C 4.149656 0.807644 0.658279
C -1.377882 0.976660 1.411683
C -2.590547 0.509327 0.646050
C -2.594427 0.572361 -0.754717
C -3.708464 0.008780 1.328072
C -3.713497 0.135345 -1.468198
C -4.825723 -0.425886 0.609283
C -4.829248 -0.363936 -0.788097
H 3.087304 -1.076811 -2.103551
H 4.539609 0.805592 -1.476754
H 5.040467 -0.683692 -0.645694
H 1.197170 -2.178074 1.399447
H 3.382979 1.594205 0.650761
H 3.915528 0.124725 1.482692
H 5.101723 1.295183 0.905620
H -0.907391 1.860509 0.907229
H -1.641666 1.311924 2.441762
H -0.738607 -0.952217 2.014074
H -1.719961 0.963266 -1.285048
H -3.715115 -0.036186 2.415035
H -3.715550 0.186659 -2.556537
H -5.695554 -0.811096 1.138743
H -5.700961 -0.701924 -1.346100


%chk=000218114-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218114

0 1
O 3.397293 -2.681918 -0.353747
O 2.465217 1.724822 -2.098438
N 1.511702 -1.479116 0.242217
N -0.414184 -0.326638 0.953123
N 1.031806 0.767479 -0.532733
C 3.258940 -0.340165 -1.104427
C 4.527129 0.223021 -0.369022
C 2.761293 -1.596522 -0.400932
C 2.213112 0.786580 -1.293581
C 0.729680 -0.302484 0.193794
C 4.256708 0.712491 1.068642
C -1.371198 0.801239 0.991887
C -2.759775 0.395195 0.513236
C -2.951649 -0.053897 -0.819570
C -3.875600 0.468724 1.382040
C -4.236021 -0.424986 -1.271011
C -5.164519 0.099435 0.930916
C -5.346899 -0.350271 -0.396171
H 3.595632 -0.647295 -2.112123
H 4.903751 1.056044 -0.989711
H 5.293277 -0.573945 -0.364754
H 1.186112 -2.316326 0.736752
H 3.505177 1.522509 1.085337
H 3.899974 -0.107356 1.719937
H 5.185668 1.108663 1.515890
H -0.928833 1.580382 0.346220
H -1.421747 1.196847 2.024010
H -0.661812 -1.171521 1.471190
H -2.094369 -0.097651 -1.502215
H -3.739070 0.821229 2.412440
H -4.374820 -0.763792 -2.303681
H -6.020930 0.163493 1.611312
H -6.344345 -0.635971 -0.748129


