%chk=000187811.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187811

0 1
N -2.434532 -2.131369 -0.621136
N -3.175655 3.720067 -0.035706
C -1.088953 -0.477215 0.221957
C -2.450801 0.004894 0.191013
C 1.292216 -0.671440 0.528193
C 2.617665 -0.098519 0.954163
C -1.106032 -1.817627 -0.291735
C 0.133861 0.085797 0.631267
C 3.372305 0.489421 -0.248720
C -2.908123 1.348447 0.625535
C -3.241550 -1.013501 -0.323039
C 1.252526 -2.000163 0.010946
C 0.071034 -2.586439 -0.400059
C 4.727797 1.075403 0.167813
C -2.636494 2.397362 -0.470374
C 5.479095 1.660034 -1.026224
H 2.472944 0.682730 1.727198
H 3.233490 -0.879269 1.444605
H 0.152716 1.100221 1.021008
H 2.752797 1.269720 -0.731771
H 3.517154 -0.293084 -1.018566
H -3.993110 1.341941 0.866432
H -2.400807 1.636222 1.569539
H -4.302836 -1.025244 -0.495285
H 2.185408 -2.558319 -0.058152
H -2.757047 -2.998946 -0.997405
H 0.041982 -3.597567 -0.791414
H 4.579954 1.859313 0.936168
H 5.345035 0.292389 0.650247
H -3.165302 2.104055 -1.405016
H -1.551573 2.416839 -0.710959
H 4.910888 2.465141 -1.505927
H 5.676525 0.899646 -1.790506
H 6.445258 2.076937 -0.720914
H -2.994269 4.423722 -0.744965
H -2.718167 4.032900 0.814894


%chk=000187811-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187811

0 1
N -2.441406 -2.163471 -0.646957
N -3.238564 3.746555 0.087080
C -1.142409 -0.484808 0.198011
C -2.523871 -0.026089 0.176524
C 1.285190 -0.620361 0.526295
C 2.612009 0.004835 0.937149
C -1.121785 -1.826520 -0.322345
C 0.078925 0.104556 0.622700
C 3.470471 0.464788 -0.273633
C -3.037189 1.325508 0.607612
C -3.279545 -1.077720 -0.343519
C 1.264509 -1.953096 0.000566
C 0.073720 -2.571500 -0.425550
C 4.818110 1.091963 0.148186
C -2.705816 2.457782 -0.401019
C 5.672718 1.544742 -1.055357
H 2.429771 0.879036 1.593201
H 3.206751 -0.718223 1.532173
H 0.089119 1.123504 1.029724
H 2.889572 1.194612 -0.873193
H 3.658229 -0.402598 -0.938957
H -4.133947 1.308182 0.742861
H -2.601491 1.596174 1.592773
H -4.353529 -1.132961 -0.514436
H 2.207924 -2.510031 -0.061797
H -2.746487 -3.055294 -1.028940
H 0.081832 -3.595751 -0.815584
H 4.624779 1.958986 0.813098
H 5.388174 0.357834 0.754296
H -3.192668 2.224757 -1.366166
H -1.605231 2.459276 -0.589274
H 5.135121 2.298463 -1.661174
H 5.908643 0.690521 -1.717861
H 6.629139 1.993116 -0.728429
H -3.228788 4.500645 -0.606373
H -2.836580 4.047087 0.981420


