%chk=000190338.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190338

0 1
O -0.966063 -1.132412 0.621939
O 1.091766 0.333002 0.351032
O 2.323975 1.697305 -1.046792
N 3.083601 -0.431744 -0.436195
C -2.066145 -2.112029 0.680868
C -1.262955 0.176696 0.352446
C -2.502401 -2.441778 -0.737872
C -1.400568 -3.276572 1.400458
C -0.117759 1.003769 0.162401
C -2.534601 0.748497 0.284604
C -0.243723 2.360073 -0.105685
C -2.656345 2.120832 0.014899
C -1.530854 2.917030 -0.181780
C 2.207207 0.660217 -0.432385
C 4.507508 -0.125577 -0.723304
C 2.847420 -1.548794 0.510189
H -2.892171 -1.674967 1.282588
H -3.231659 -3.258260 -0.758978
H -2.951631 -1.574966 -1.239018
H -1.645281 -2.745140 -1.355465
H -2.093949 -4.113325 1.534023
H -1.035029 -2.970264 2.389873
H -0.528767 -3.644742 0.843181
H -3.426265 0.148229 0.437114
H 0.646317 2.973653 -0.272214
H -3.651152 2.561655 -0.041083
H -1.638492 3.978228 -0.396516
H 5.088326 0.110118 0.182285
H 4.577297 0.736840 -1.415282
H 4.964034 -0.995579 -1.225054
H 3.212006 -1.337905 1.527620
H 3.341714 -2.456759 0.129852
H 1.755741 -1.752127 0.576956


%chk=000190338-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190338

0 1
O -0.998032 -1.216173 0.504118
O 1.088492 0.214028 -0.076557
O 2.603904 1.979346 -0.568563
N 3.318978 -0.228846 -0.210885
C -2.134290 -2.140544 0.783639
C -1.264614 0.132775 0.231573
C -2.841198 -2.528282 -0.527489
C -1.496147 -3.338591 1.494387
C -0.125478 0.941053 -0.077684
C -2.543598 0.737479 0.260295
C -0.267669 2.317420 -0.347838
C -2.685736 2.119066 -0.008308
C -1.555470 2.903730 -0.311196
C 2.369671 0.768909 -0.309764
C 4.730012 0.121678 -0.428629
C 3.017460 -1.635852 0.100558
H -2.839499 -1.633426 1.474478
H -3.691119 -3.203787 -0.318194
H -3.226746 -1.644419 -1.063569
H -2.134763 -3.053490 -1.194189
H -2.269208 -4.082806 1.758017
H -0.985479 -3.015960 2.417437
H -0.753588 -3.822244 0.835382
H -3.432219 0.143842 0.492367
H 0.619017 2.909058 -0.578861
H -3.683026 2.571193 0.019313
H -1.662866 3.972668 -0.522000
H 5.328909 -0.102536 0.475167
H 4.801633 1.196530 -0.651355
H 5.145252 -0.454608 -1.277898
H 3.554800 -1.944378 1.018661
H 3.346331 -2.289538 -0.731129
H 1.937388 -1.760091 0.253422


