%chk=000208639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208639

0 1
O 0.738945 2.283296 0.000222
N 0.111080 0.080820 -0.000651
N -0.693009 -2.075858 -0.000627
N 1.736002 -1.765090 -0.000879
C -1.317516 0.155499 -0.000594
C -1.810404 -1.189838 -0.000658
C 0.485681 -1.311264 -0.000934
C -2.184761 1.239984 -0.000236
C -3.564005 0.980339 0.000062
C -3.176331 -1.448458 -0.000369
C -4.054605 -0.352151 0.000002
C 1.108742 1.130784 -0.000294
C 2.475743 0.601409 -0.000457
C 2.750808 -0.793715 -0.000743
C -4.512471 2.135023 -0.000037
C -5.526425 -0.611766 -0.000216
C 3.554779 1.519338 -0.000155
C 4.099058 -1.245041 -0.000608
C 4.859873 1.065724 0.000023
C 5.127648 -0.323905 -0.000259
H -0.724222 -3.082197 -0.001788
H -1.787114 2.258390 -0.000277
H -3.555048 -2.466853 -0.000542
H -5.161966 2.121117 0.887347
H -3.996260 3.105218 -0.002138
H -5.164877 2.118887 -0.885236
H -5.771403 -1.681639 -0.002883
H -6.009171 -0.173938 0.886381
H -6.009998 -0.169418 -0.884106
H 3.328671 2.589806 0.000127
H 4.290614 -2.318617 -0.000731
H 5.689524 1.769344 0.000464
H 6.165120 -0.663229 -0.000007


%chk=000208639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208639

0 1
O 0.721256 2.310240 0.000134
N 0.122714 0.044093 -0.000088
N -0.674047 -2.061152 -0.000530
N 1.738130 -1.796770 -0.000509
C -1.296241 0.136279 -0.000194
C -1.790764 -1.199050 -0.000479
C 0.505713 -1.321780 -0.000410
C -2.168760 1.236855 -0.000046
C -3.565097 0.990060 -0.000206
C -3.170903 -1.455673 -0.000646
C -4.066097 -0.355368 -0.000514
C 1.090374 1.098545 0.000217
C 2.475038 0.593685 -0.000115
C 2.751263 -0.823094 -0.000410
C -4.529258 2.163803 0.000085
C -5.562756 -0.611194 -0.000569
C 3.547823 1.526892 -0.000124
C 4.109296 -1.254114 -0.000656
C 4.877020 1.081101 -0.000372
C 5.153461 -0.317681 -0.000640
H -0.676699 -3.078227 -0.000981
H -1.767880 2.252451 0.000167
H -3.559463 -2.479381 -0.000900
H -5.189927 2.149774 0.888619
H -3.986437 3.123305 -0.000488
H -5.191102 2.149362 -0.887554
H -5.786835 -1.691295 -0.002144
H -6.050609 -0.165836 0.887718
H -6.051082 -0.163106 -0.887199
H 3.298814 2.593440 0.000106
H 4.301941 -2.331219 -0.000869
H 5.701038 1.802087 -0.000359
H 6.192779 -0.665031 -0.000839


