%chk=000187564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187564

0 1
O -1.319431 -0.125780 -2.227785
O -2.163977 -0.581155 -0.131337
O -2.131242 2.635470 -0.547805
O 2.983736 3.430795 -0.047433
O 0.428911 -2.299265 1.014878
O -3.722251 -1.928003 -1.058657
N 0.428580 0.276145 0.223310
N 2.336413 -1.028784 1.033076
N 2.637787 1.225713 0.483380
C -0.049675 1.514000 -0.243723
C -2.192741 0.354828 -1.238054
C -1.503435 1.614548 -0.640689
C 1.797402 0.209709 0.562106
C 0.763369 2.594773 -0.333678
C 2.201002 2.515198 0.023126
C 1.625187 -2.233835 1.238438
C -1.951650 -0.823233 -3.332891
C -2.974307 -1.718073 -0.138348
C 2.462897 -3.366066 1.737604
C -2.713579 -2.483012 1.100996
H -3.234187 0.522233 -1.574835
H -0.197860 -0.562601 0.253843
H 0.402834 3.571103 -0.665475
H 3.349638 -0.982289 1.240278
H -2.500028 -0.107306 -3.951036
H -2.605932 -1.623771 -2.963692
H -1.086465 -1.231411 -3.870365
H 1.844458 -4.272249 1.867918
H 2.925429 -3.155451 2.714668
H 3.272892 -3.635144 1.041247
H -1.643146 -2.774856 1.176736
H -2.925608 -1.890295 2.005837
H -3.318722 -3.401835 1.140362


%chk=000187564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187564

0 1
O -1.301281 -0.308886 -2.288077
O -2.098027 -0.632460 -0.037346
O -1.998463 2.655118 -0.958362
O 2.966739 3.561555 0.221907
O 0.455031 -2.344887 0.923005
O -3.787715 -1.941166 -0.980020
N 0.518134 0.267741 0.171185
N 2.355105 -1.002278 1.046733
N 2.671397 1.258312 0.613521
C 0.000716 1.489465 -0.277659
C -2.099773 0.253669 -1.240035
C -1.407716 1.556086 -0.797036
C 1.832816 0.233703 0.591599
C 0.804642 2.612018 -0.269796
C 2.208973 2.549845 0.192530
C 1.688868 -2.217007 1.200053
C -2.055183 -0.805565 -3.466962
C -3.008710 -1.726947 -0.030644
C 2.548424 -3.356796 1.719900
C -2.851057 -2.522018 1.237288
H -3.143550 0.448417 -1.548923
H -0.062255 -0.590559 0.235906
H 0.404356 3.566203 -0.619933
H 3.343911 -0.922386 1.303840
H -2.520110 0.040010 -4.006687
H -2.824057 -1.531732 -3.153269
H -1.299057 -1.283970 -4.106443
H 1.928606 -4.260107 1.806991
H 2.972461 -3.115420 2.711593
H 3.388514 -3.564213 1.032492
H -1.801224 -2.851803 1.329696
H -3.074245 -1.887603 2.113137
H -3.529971 -3.386236 1.221816


