%chk=000214561.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214561

0 1
O 0.139263 -1.246131 -1.274358
O -2.150563 -0.066200 -0.929966
O -2.270847 1.932099 0.128803
N 2.001631 -0.304119 -0.345368
N 1.878767 1.773898 0.840374
C 2.774162 -1.512512 -0.820157
C 4.265286 -1.170750 -0.966980
C 4.816702 -0.519854 0.301861
C 4.077197 0.783489 0.603640
C 2.594749 0.723429 0.359613
C 2.524989 -2.675289 0.141020
C 0.539982 -0.307388 -0.629548
C -0.153013 0.835169 -0.082964
C 0.531121 1.817191 0.623418
C -1.602125 0.993074 -0.256882
C -4.323178 -0.469034 0.099148
C -3.593997 -0.041272 -1.170135
C -5.812556 -0.709263 -0.173049
C -6.552486 -1.127137 1.095352
H 2.350856 -1.778532 -1.832206
H 4.415176 -0.499711 -1.836819
H 4.831064 -2.093516 -1.203708
H 5.900721 -0.318974 0.192352
H 4.725658 -1.218634 1.158448
H 4.488458 1.618040 -0.013997
H 4.262841 1.104392 1.655976
H 2.825742 -2.447333 1.169210
H 1.455825 -2.941580 0.162524
H 3.069361 -3.572864 -0.174250
H 0.001392 2.691264 1.044357
H -4.194487 0.309790 0.880109
H -3.850941 -1.383575 0.509821
H -3.674253 -0.776268 -1.991747
H -3.884382 0.966896 -1.511742
H -5.934718 -1.489442 -0.950230
H -6.272747 0.210514 -0.586372
H -6.145523 -2.054876 1.513748
H -6.481647 -0.358847 1.874559
H -7.616782 -1.294944 0.896042


%chk=000214561-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214561

0 1
O 0.138858 -1.496864 -0.984862
O -2.206888 0.011056 -0.961565
O -2.209640 1.895410 0.411859
N 2.060422 -0.348078 -0.263282
N 1.965624 1.830593 0.725063
C 2.827489 -1.582692 -0.675387
C 4.293770 -1.229433 -0.992108
C 4.944138 -0.451736 0.169684
C 4.174691 0.861820 0.399798
C 2.663878 0.758401 0.294492
C 2.674470 -2.673403 0.410947
C 0.599149 -0.438124 -0.476041
C -0.115847 0.757362 -0.031524
C 0.602557 1.802568 0.562754
C -1.590376 0.948449 -0.146998
C -4.426487 -0.580644 0.017436
C -3.688283 0.145060 -1.115456
C -5.959532 -0.542359 -0.188346
C -6.720287 -1.275675 0.937437
H 2.314003 -1.943521 -1.584137
H 4.338984 -0.621749 -1.917511
H 4.839197 -2.169297 -1.193524
H 6.002210 -0.227709 -0.054370
H 4.938473 -1.068513 1.087306
H 4.479948 1.618540 -0.351173
H 4.399809 1.314522 1.380836
H 3.128321 -2.367215 1.369978
H 1.608736 -2.898173 0.577200
H 3.169021 -3.601521 0.072263
H 0.051246 2.676848 0.923852
H -4.169764 -0.104897 0.982678
H -4.079544 -1.630967 0.060923
H -3.886457 -0.321388 -2.094671
H -3.950944 1.218429 -1.137648
H -6.213528 -1.000853 -1.165947
H -6.298988 0.512172 -0.236993
H -6.420245 -2.338982 0.990952
H -6.508461 -0.816780 1.921189
H -7.813025 -1.239458 0.774793


