%chk=000183779.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183779

0 1
O 0.572641 0.749313 -1.317240
N 4.677414 0.337802 -0.855089
N -2.111169 0.505123 -0.334898
N 4.380311 0.913680 1.329307
C 1.263633 -1.387592 -0.441855
C 1.492730 -1.546588 1.077857
C 2.583216 -1.137107 -1.213640
C 2.161062 -0.324828 1.733961
C 3.490589 -0.270194 -0.425800
C 3.325547 0.099310 0.918415
C 0.257560 -0.266276 -0.720309
C -1.118084 -0.488895 -0.273525
C -3.331582 -0.025848 0.154710
C -1.736958 -1.653871 0.248784
C -3.087029 -1.384690 0.514800
C 5.186497 1.054149 0.251300
C -2.016960 1.825864 -0.777655
C -4.476523 0.815752 0.195025
C -4.096160 -2.313855 1.063985
C -3.135025 2.620339 -0.730095
C -4.377896 2.113475 -0.238854
H 0.821141 -2.340482 -0.829521
H 2.131213 -2.438319 1.241336
H 0.532576 -1.753985 1.587819
H 3.074387 -2.108137 -1.429843
H 2.352073 -0.667256 -2.196179
H 1.442211 0.518884 1.819075
H 2.470800 -0.562276 2.772558
H 5.062509 0.294303 -1.777046
H -1.242609 -2.594344 0.406778
H 6.098752 1.625895 0.215614
H -1.032665 2.156632 -1.150590
H -5.407608 0.397528 0.574855
H -4.937169 -2.450787 0.368048
H -4.510439 -1.941476 2.012804
H -3.674836 -3.308896 1.262929
H -3.083189 3.654329 -1.070759
H -5.239160 2.780024 -0.218263


%chk=000183779-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183779

0 1
O 0.644978 0.868820 -1.161043
N 4.687326 0.324121 -0.898090
N -2.131312 0.531446 -0.318055
N 4.479128 0.933252 1.273614
C 1.263414 -1.381835 -0.383565
C 1.563854 -1.551564 1.148400
C 2.571727 -1.165107 -1.202570
C 2.259227 -0.315989 1.778285
C 3.515928 -0.288463 -0.430859
C 3.408483 0.098170 0.904228
C 0.258965 -0.233904 -0.631259
C -1.123674 -0.462187 -0.237032
C -3.368162 -0.026981 0.128218
C -1.764913 -1.639306 0.258262
C -3.134399 -1.391998 0.485244
C 5.232173 1.050795 0.162230
C -2.041911 1.854677 -0.738921
C -4.524995 0.796875 0.140920
C -4.178316 -2.348846 0.999563
C -3.180146 2.652598 -0.721679
C -4.438184 2.128072 -0.279202
H 0.791525 -2.322165 -0.732406
H 2.223131 -2.434698 1.263527
H 0.624564 -1.767769 1.688822
H 3.031285 -2.153087 -1.412430
H 2.313502 -0.702902 -2.174627
H 1.536616 0.518715 1.880950
H 2.611006 -0.557662 2.798499
H 5.056087 0.271490 -1.846521
H -1.263182 -2.592063 0.424010
H 6.149599 1.628417 0.076296
H -1.051102 2.172612 -1.067175
H -5.470796 0.368116 0.484507
H -5.001159 -2.491631 0.272946
H -4.633471 -1.993186 1.943874
H -3.736850 -3.340060 1.198587
H -3.093801 3.689959 -1.054897
H -5.324343 2.769965 -0.271848


