%chk=000097908.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000097908

0 1
O -1.665053 -1.070015 0.214168
O 2.293077 1.625575 -2.220503
O 1.115918 2.491377 -0.521784
N 3.686172 -2.400479 0.296529
N 3.920633 3.518932 -0.049723
C 3.278254 -0.193527 0.712240
C 2.010364 -0.849435 0.513735
C 3.472719 1.244598 1.016000
C 2.288599 -2.232212 0.252781
C 3.555572 2.099571 -0.271366
C 4.273688 -1.158463 0.572019
C 0.676374 -0.394398 0.522897
C 1.260239 -3.169214 0.003843
C -0.311374 -1.328480 0.264564
C -0.038269 -2.712667 0.009727
C 2.185980 2.123992 -0.950019
C -2.087692 0.318517 0.397026
C -3.574883 0.316788 0.177056
C -4.208625 1.512564 -0.194473
C -4.329996 -0.849351 0.359909
C -5.593563 1.536337 -0.376126
C -5.714405 -0.819656 0.170204
C -6.348072 0.371993 -0.195109
H 2.641474 1.607707 1.661536
H 4.397117 1.390740 1.611863
H 4.303239 1.645371 -0.981729
H 5.340405 -1.042439 0.651188
H 4.173591 -3.259893 0.144496
H 0.467401 0.654926 0.716720
H 1.494545 -4.212728 -0.187939
H -0.881917 -3.374082 -0.179122
H 4.877081 3.602003 0.279568
H 3.311480 3.959944 0.635966
H -1.549179 0.952133 -0.333710
H -1.829678 0.622053 1.429676
H -3.626976 2.420698 -0.342116
H -3.827052 -1.776473 0.640960
H 1.423267 1.599817 -2.703334
H -6.086020 2.464258 -0.661892
H -6.299096 -1.727455 0.308679
H -7.426140 0.394173 -0.339706


%chk=000097908-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097908

0 1
O -1.669731 -1.185992 0.059532
O 2.409349 1.256517 -2.191732
O 1.184242 2.636687 -0.784870
N 3.773959 -2.406083 0.373122
N 3.746143 3.627080 0.032798
C 3.296244 -0.197494 0.741400
C 2.052743 -0.909156 0.492164
C 3.458288 1.277554 1.003699
C 2.381404 -2.288379 0.264576
C 3.558135 2.202923 -0.279065
C 4.318343 -1.147943 0.660369
C 0.693068 -0.492531 0.441708
C 1.389750 -3.257668 -0.011155
C -0.289493 -1.462197 0.160079
C 0.052589 -2.831863 -0.063527
C 2.270722 2.084749 -1.085652
C -2.085970 0.203577 0.284367
C -3.593500 0.298497 0.140143
C -4.183996 1.565548 -0.095945
C -4.425947 -0.838680 0.272605
C -5.587318 1.697050 -0.186406
C -5.830134 -0.707688 0.174903
C -6.416356 0.558929 -0.050746
H 2.619073 1.662278 1.616459
H 4.387170 1.464080 1.577021
H 4.392087 1.841235 -0.903924
H 5.391608 -1.017301 0.790695
H 4.303413 -3.268048 0.267496
H 0.434203 0.555815 0.611479
H 1.642343 -4.309480 -0.184132
H -0.757029 -3.535589 -0.278804
H 4.579651 3.833493 0.588889
H 2.897164 4.085006 0.379848
H -1.580455 0.876002 -0.440096
H -1.773941 0.513396 1.306127
H -3.546453 2.451526 -0.212024
H -3.964072 -1.816085 0.438103
H 1.524717 1.137695 -2.635142
H -6.031562 2.682013 -0.369378
H -6.466075 -1.594825 0.274668
H -7.505177 0.658453 -0.124956


