%chk=000048908.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048908

0 1
 O   0.1840000      0.6484000     -3.9299998E-02
 O  -4.0199999E-02  -1.033100      -1.595200    
 N    1.620400       3.134900      0.2196000    
 N   -5.984900     -0.1916000      0.6382000    
 C    1.583900      0.7245000     -0.3050000    
 C    2.224000       1.839600      0.5310000    
 C    2.198100     -0.6228000      5.5000000E-03
 C    3.296800      -1.048500     -0.7210000    
 C    1.648600      -1.401100       1.009900    
 C    1.830500       3.471300      -1.187900    
 C    2.174400       4.177500       1.082700    
 C  -0.5063000     -0.2762000     -0.7578000    
 C    3.863300      -2.290600     -0.4347000    
 C    2.215100      -2.643200       1.296300    
 C   -1.944800     -0.2541000     -0.3907000    
 C    3.322500      -3.087900      0.5740000    
 C   -2.674900      -1.421100     -0.4845000    
 C   -2.506900      0.9330000      3.2400001E-02
 C   -4.026500      -1.400100     -0.1404000    
 C   -3.858600      0.9540000      0.3766000    
 C   -4.618500     -0.2127000      0.2902000    
 H    1.719300      0.9076000      -1.377900    
 H    3.311300       1.859000      0.3771000    
 H    2.050900       1.622000       1.593700    
 H    3.726100     -0.4337000      -1.506700    
 H   0.8061000      -1.070100       1.610000    
 H    1.207300       2.864800      -1.851800    
 H    2.879900       3.378100      -1.490400    
 H    1.521000       4.505700      -1.382400    
 H    1.685700       5.138900      0.8885000    
 H    3.253700       4.303600      0.9392000    
 H    1.991400       3.943300       2.137400    
 H    4.726000      -2.636500     -0.9964000    
 H    1.798500      -3.261300       2.086200    
 H    3.764600      -4.054300      0.7981000    
 H   -2.224200      -2.352300     -0.8147000    
 H   -1.940900       1.857500      9.5200002E-02
 H   -4.607700      -2.316100     -0.2111000    
 H   -4.309000       1.886200      0.7079000    
 H   -6.414800      0.6691000      0.9498000    
 H   -6.536500      -1.037000      0.5751000    


%chk=000048908-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048908

0 1
O 0.243920 0.006029 0.024427
O -0.392407 0.407038 -2.194960
N 1.372960 2.716003 -0.356893
N -6.122697 0.036687 0.858552
C 1.665115 0.203459 -0.346522
C 2.115892 1.580507 0.212858
C 2.500969 -0.922277 0.242327
C 3.758762 -1.218666 -0.341060
C 2.088306 -1.638959 1.392053
C 1.699514 2.992641 -1.770232
C 1.443480 3.921588 0.491628
C -0.709053 0.222306 -0.989400
C 4.594702 -2.210885 0.217126
C 2.921540 -2.635911 1.948214
C -2.093144 0.166702 -0.472113
C 4.178594 -2.922041 1.366725
C -3.166875 0.275586 -1.397556
C -2.394609 0.014357 0.908386
C -4.499370 0.232585 -0.965542
C -3.724392 -0.028542 1.353119
C -4.802616 0.079036 0.422163
H 1.729476 0.196062 -1.450386
H 3.222460 1.661104 0.045160
H 1.954033 1.564647 1.306930
H 4.079051 -0.679729 -1.241803
H 1.107362 -1.424348 1.826691
H 1.425638 2.129578 -2.399895
H 2.782080 3.233403 -1.929354
H 1.101150 3.852476 -2.119460
H 0.785166 4.704370 0.074036
H 2.474659 4.350627 0.577202
H 1.086337 3.683634 1.509453
H 5.562486 -2.434008 -0.246119
H 2.589647 -3.191076 2.833124
H 4.823269 -3.695336 1.799650
H -2.926396 0.395681 -2.459192
H -1.571503 -0.062416 1.624167
H -5.316356 0.316643 -1.692483
H -3.942799 -0.144054 2.421810
H -6.343328 -0.073774 1.844137
H -6.892323 0.113973 0.199735


