%chk=000049134.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049134

0 1
 O  -0.1575000     -0.5602000       2.479700    
 O  -0.4451000      0.3610000      -2.115800    
 O    1.509000      -3.510100     -0.6148000    
 N   0.7621000      -1.985900      0.9358000    
 N   0.6191000      -1.525600      -1.359800    
 C   0.1637000      0.2865000      0.2303000    
 C    1.491100       1.062300      0.3029000    
 C   -1.002200       1.249800      0.4963000    
 C    1.529900       2.125600     -0.8062000    
 C   0.2068000     -0.7758000       1.324100    
 C   5.0099999E-02 -0.2730000      -1.184300    
 C    1.656900       1.662900       1.697600    
 C    2.836900       2.904300     -0.8515000    
 C   -2.303500      0.5170000      0.5008000    
 C    1.014200      -2.410000     -0.3634000    
 C   -3.310000      0.7923000     -0.3412000    
 C   -4.621300      7.9099998E-02 -0.3306000    
 H    2.331600      0.3732000      0.1391000    
 H  -0.9343000       1.730600       1.477600    
 H   -1.060500       2.055600     -0.2419000    
 H   0.7315000       2.865000     -0.7020000    
 H    1.440800       1.674900      -1.797300    
 H   0.9431000       2.461100       1.917100    
 H    2.648200       2.126000       1.776100    
 H    1.642400      0.9302000       2.506000    
 H    2.856600       3.554800      -1.732400    
 H    3.696700       2.229600     -0.9120000    
 H    2.956400       3.544100      2.7799999E-02
 H   -2.455600     -0.2551000       1.250300    
 H   0.9302000      -2.665500       1.672400    
 H   0.6817000      -1.865800      -2.315300    
 H   -3.190300       1.572900      -1.087800    
 H   -5.431500      0.7919000     -0.1496000    
 H   -4.668000     -0.6941000      0.4428000    
 H   -4.793000     -0.3982000      -1.300300    


%chk=000049134-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049134

0 1
O -0.277091 -0.512904 2.510032
O -0.390875 0.365843 -2.189534
O 1.505579 -3.532709 -0.527676
N 0.736275 -1.928869 0.992965
N 0.625694 -1.517490 -1.326855
C 0.100054 0.371937 0.234997
C 1.510192 1.163722 0.321509
C -1.120367 1.322195 0.443922
C 1.532744 2.399471 -0.624555
C 0.130107 -0.700699 1.335599
C 0.049430 -0.237447 -1.177632
C 1.869557 1.568072 1.771558
C 2.968996 2.855222 -0.968578
C -2.450661 0.595029 0.521615
C 1.004844 -2.403011 -0.303294
C -3.389188 0.619674 -0.460935
C -4.725352 -0.084604 -0.400954
H 2.285192 0.451586 -0.035899
H -0.952763 1.887030 1.378953
H -1.135547 2.035425 -0.396584
H 0.987486 3.233692 -0.141491
H 0.999010 2.173726 -1.565459
H 1.068477 2.168977 2.236617
H 2.788062 2.180771 1.760812
H 2.056471 0.699341 2.424514
H 2.945854 3.734763 -1.637129
H 3.526219 2.053737 -1.489396
H 3.545401 3.137902 -0.068925
H -2.644317 0.030072 1.444853
H 0.885662 -2.602061 1.751775
H 0.709934 -1.879910 -2.282163
H -3.172407 1.185774 -1.380088
H -5.560631 0.636451 -0.496612
H -4.853081 -0.633181 0.548975
H -4.832760 -0.806127 -1.234439


