%chk=000181381.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181381

0 1
O -1.118840 -0.585530 -0.004059
O 3.351657 -1.862371 -0.000230
O -0.235826 3.449411 0.001811
N -3.350944 -0.215808 -0.006124
C 0.548648 1.214661 0.000094
C 0.207808 -0.145849 -0.001892
C -2.120229 0.399205 -0.004008
C -0.508759 2.262959 0.000149
C 1.147307 -1.175777 -0.001987
C 1.913375 1.549638 0.002055
C -1.861854 1.733704 -0.002039
C 2.500533 -0.789912 0.000030
C -3.490128 -1.698904 -0.007936
C 2.895204 0.562712 0.002057
C -4.961494 -2.087544 0.014795
C 4.778890 -1.602916 0.001557
H 0.859097 -2.222665 -0.003570
H -2.654317 2.476323 -0.001865
H 2.186600 2.611817 0.003601
H -4.192619 0.353349 -0.007454
H -2.981615 -2.110056 -0.912838
H -2.952705 -2.114965 0.877938
H 3.943126 0.841297 0.003622
H -5.476717 -1.716448 0.910444
H -5.505314 -1.713205 -0.862329
H -5.070355 -3.181005 0.014509
H 5.067262 -1.062551 -0.904699
H 5.189126 -2.622303 0.000682
H 5.065379 -1.064866 0.909783


%chk=000181381-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181381

0 1
O -1.108897 -0.644485 -0.002867
O 3.490958 -1.882028 -0.000087
O -0.246307 3.470031 0.000707
N -3.366575 -0.271936 -0.002930
C 0.557496 1.180995 -0.000133
C 0.238962 -0.200941 -0.001370
C -2.125071 0.318388 -0.002374
C -0.518501 2.218404 0.000021
C 1.215814 -1.206965 -0.001389
C 1.927826 1.531953 0.001113
C -1.868247 1.684143 -0.001129
C 2.576332 -0.821949 -0.000074
C -3.608963 -1.727945 -0.007158
C 2.939031 0.555270 0.001173
C -5.120481 -2.008089 0.013401
C 4.919021 -1.548743 0.001376
H 0.941739 -2.264376 -0.002407
H -2.702508 2.391242 -0.000832
H 2.165948 2.601037 0.002096
H -4.171844 0.353390 -0.005368
H -3.146699 -2.181488 -0.904977
H -3.120855 -2.189224 0.872477
H 3.988905 0.860859 0.002201
H -5.594003 -1.589996 0.920753
H -5.620728 -1.579333 -0.874567
H -5.302790 -3.096084 0.009258
H 5.198429 -0.974961 -0.903077
H 5.437431 -2.518495 0.001119
H 5.196873 -0.976273 0.907141


