%chk=000049875.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049875

0 1
 O   4.8000002E-03 -0.5569000     -0.6455000    
 O   -1.782400       2.090300      -2.165600    
 O   0.7443000       1.024300      -2.152900    
 N   0.6979000      -3.249100      0.1171000    
 C    1.354800     -0.9191000     -0.3583000    
 C    1.391800      -2.076100      0.6477000    
 C    2.068900      0.3030000      0.1762000    
 C   -1.633300      0.7396000      -1.752500    
 C    1.354100       1.239700      0.9029000    
 C    3.421800      0.4583000     -7.2499998E-02
 C  -0.1587000      0.4379000      -1.569700    
 C   0.7627000      -4.356000       1.070800    
 C    1.273800      -3.646300      -1.167100    
 C   -2.431500      0.5293000     -0.4893000    
 C    2.012300       2.366300       1.395900    
 C    4.080000       1.584900      0.4206000    
 C    3.375200       2.538900       1.154800    
 C   -2.986900     -0.7151000     -0.2352000    
 C   -2.595000       1.584100      0.3954000    
 C   -3.724600     -0.9098000      0.9325000    
 C   -3.332700       1.389300       1.563100    
 C   -3.897400      0.1424000       1.831700    
 H    1.845600      -1.194000      -1.300000    
 H   0.8859000      -1.762300       1.570600    
 H    2.431400      -2.314800      0.9097000    
 H   -2.020700      0.1016000      -2.555300    
 H   0.3029000       1.115100       1.139900    
 H    3.979300     -0.2802000     -0.6412000    
 H   0.3114000      -4.067800       2.026800    
 H    1.792400      -4.681000       1.259200    
 H   0.1912000      -5.215600      0.7033000    
 H   0.8798000      -4.622900      -1.474900    
 H    2.366300      -3.729500      -1.131600    
 H   0.9844000      -2.966100      -1.974100    
 H    1.465500       3.104700       1.974900    
 H    5.141500       1.719000      0.2339000    
 H    3.888200       3.415000       1.540600    
 H   -2.856800      -1.541400     -0.9283000    
 H   -2.152800       2.559900      0.2178000    
 H   -1.372600       2.174600      -3.043700    
 H   -4.163300      -1.880900       1.142100    
 H   -3.463900       2.207200       2.265500    
 H   -4.470500     -9.4999997E-03   2.741600    


%chk=000049875-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049875

0 1
O -0.007574 -0.792232 0.040317
O -2.957774 -1.139135 -2.041860
O -0.323451 -0.499314 -2.260846
N 1.290587 -3.184559 -1.029652
C 1.487977 -0.836599 -0.129344
C 1.906853 -2.322698 -0.008156
C 2.111718 0.029774 0.947025
C -2.280109 -0.769177 -0.807238
C 1.691593 -0.073461 2.297764
C 3.159530 0.922333 0.615757
C -0.770084 -0.680087 -1.100371
C 1.225459 -4.601855 -0.619183
C 1.859603 -3.007491 -2.381341
C -2.817557 0.552779 -0.218067
C 2.311461 0.704654 3.298840
C 3.787456 1.695473 1.618755
C 3.364745 1.588222 2.963162
C -2.291634 1.087261 0.985607
C -3.879679 1.222040 -0.869779
C -2.818638 2.282909 1.521827
C -4.404069 2.419705 -0.331706
C -3.875930 2.954873 0.864945
H 1.717918 -0.444520 -1.135644
H 1.596784 -2.680610 0.991031
H 3.027602 -2.350121 -0.030510
H -2.445501 -1.589914 -0.086819
H 0.868036 -0.748513 2.557215
H 3.481183 1.018164 -0.428594
H 0.701321 -4.686931 0.349244
H 2.229708 -5.084594 -0.515471
H 0.649928 -5.174309 -1.368111
H 1.331295 -3.671922 -3.087018
H 2.952577 -3.244701 -2.429448
H 1.700633 -1.973324 -2.729731
H 1.975432 0.624201 4.338657
H 4.596780 2.383660 1.351109
H 3.846572 2.190815 3.741115
H -1.465249 0.579462 1.494388
H -4.291399 0.784638 -1.784074
H -2.366459 -0.857135 -2.794299
H -2.401948 2.690625 2.449934
H -5.227432 2.929770 -0.844792
H -4.283161 3.882842 1.282262


