%chk=000083644.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083644

0 1
 O  -0.7532000       1.651300     -0.3506000    
 O   -1.290900      -1.004900     -0.5644000    
 O  -4.4199999E-02   3.615000      -1.320500    
 O   -1.344700      -2.903400      -1.865200    
 N    3.903400       2.391000     -0.2615000    
 N    2.064300      -2.268800       1.394900    
 C   -3.034600      0.7220000     -0.4282000    
 C   -3.083100      0.6489000       1.127000    
 C   -2.069600       1.865700     -0.8409000    
 C   -2.568100     -0.6161000      -1.050500    
 C   -4.424600       1.062900      -1.001100    
 C   -4.001500     -0.4313000       1.710900    
 C   -3.931200     -0.4499000       3.231600    
 C   0.1655000       2.606800     -0.6641000    
 C  -0.7936000      -2.173900      -1.055500    
 C    1.494700       2.266000     -9.7099997E-02
 C   0.5393000      -2.466600     -0.4707000    
 C    1.605600       1.534000       1.080000    
 C    1.494500      -3.181100      -1.185200    
 C    2.663500       2.667300     -0.7238000    
 C   0.8707000      -2.036400      0.8041000    
 C    2.864200       1.230100       1.587000    
 C    2.734300      -3.440000     -0.6112000    
 C    3.971700       1.677700      0.8849000    
 C    2.967400      -2.966300      0.6699000    
 H   -3.399800       1.624800       1.519200    
 H   -2.070200      0.4821000       1.516000    
 H   -2.031400       1.940000      -1.935500    
 H   -2.441900       2.821200     -0.4487000    
 H   -2.506900     -0.5057000      -2.141400    
 H   -3.293600      -1.411800     -0.8432000    
 H   -4.377800       1.218600      -2.085000    
 H   -4.823900       1.978600     -0.5509000    
 H   -5.145500      0.2585000     -0.8219000    
 H   -5.039100     -0.2549000       1.410000    
 H   -3.714200      -1.421600       1.344200    
 H   -4.240700      0.5131000       3.650300    
 H   -2.914000     -0.6639000       3.574900    
 H   -4.594200      -1.223200       3.631900    
 H   0.7278000       1.200500       1.626400    
 H    1.288100      -3.539500      -2.190000    
 H    2.644900       3.238800      -1.646800    
 H   0.1716000      -1.485300       1.425500    
 H    2.974900      0.6633000       2.504300    
 H    3.494500      -3.994000      -1.149800    
 H    4.975600       1.467300       1.238700    
 H    3.918600      -3.140500       1.162000    


%chk=000083644-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083644

0 1
O -0.740279 1.229963 -0.470142
O -1.622243 -1.585483 -0.287858
O 0.018931 3.064347 -1.697191
O -0.691673 -1.401972 -2.425911
N 3.847570 2.649717 0.148353
N 1.873183 -3.060326 1.380386
C -3.105404 0.466106 -0.422074
C -3.049597 0.710288 1.116790
C -2.067121 1.365514 -1.135358
C -2.909153 -1.027505 -0.788118
C -4.488354 0.872055 -1.011482
C -4.135541 0.009383 1.965011
C -3.983363 0.341084 3.466392
C 0.228763 2.165140 -0.847460
C -0.584702 -1.706471 -1.212235
C 1.511967 1.953023 -0.117015
C 0.656062 -2.246103 -0.583780
C 1.665549 0.979788 0.902526
C 1.813874 -2.397228 -1.387594
C 2.630195 2.761665 -0.454822
C 0.733572 -2.596269 0.789910
C 2.919871 0.851403 1.533759
C 2.995022 -2.883955 -0.793046
C 3.975284 1.701713 1.127626
C 2.979758 -3.197306 0.586960
H -3.116123 1.805189 1.289025
H -2.053635 0.399264 1.483336
H -1.943006 1.081916 -2.196679
H -2.368229 2.428337 -1.083846
H -2.948119 -1.165752 -1.883994
H -3.677563 -1.650510 -0.302684
H -4.469099 0.879300 -2.117632
H -4.771124 1.883790 -0.668874
H -5.284321 0.175263 -0.695336
H -5.145832 0.314050 1.628414
H -4.072815 -1.088768 1.833035
H -4.070210 1.429862 3.642044
H -2.995263 0.018818 3.845104
H -4.758831 -0.162393 4.071933
H 0.819447 0.349164 1.185910
H 1.764615 -2.127428 -2.447401
H 2.533597 3.521552 -1.237619
H -0.145745 -2.499981 1.433641
H 3.078569 0.108624 2.321467
H 3.910759 -3.013979 -1.377345
H 4.963955 1.634014 1.595817
H 3.879401 -3.572503 1.088059


