%chk=000029130.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029130

0 1
 O    1.282900     -1.9700000E-02 -0.1106000    
 N    4.108300     -0.2077000     -8.8799998E-02
 C   1.2800000E-02  2.8700000E-02  0.5249000    
 C  -0.6241000       1.386400      0.3128000    
 C  -0.8795000      -1.116600      8.6800002E-02
 C   0.1828000       2.479600      4.1299999E-02
 C   -1.257100      -2.073300       1.013800    
 C   -2.001700       1.509900      0.3943000    
 C   -1.298400      -1.182100      -1.231400    
 C    1.908700      -1.283300      6.9700003E-02
 C    3.257000      -1.265300     -0.6325000    
 C  -0.4037000       3.730000     -0.1537000    
 C   -2.077600      -3.126900      0.6107000    
 C   -2.588200       2.760300      0.1991000    
 C   -2.119000      -2.235500      -1.634400    
 C    1.668900       2.356100     -4.8500001E-02
 C  -0.8094000      -2.009500       2.437500    
 C   -2.879800      0.3372000      0.6865000    
 C  -0.8954000     -0.1538000      -2.237500    
 C   -1.789100       3.870400     -7.4900001E-02
 C   -2.508600      -3.207900     -0.7133000    
 C    5.387900     -0.1676000     -0.7959000    
 C    4.322100     -0.4093000       1.343700    
 H   0.2193000      3.1000001E-03   1.599700    
 H    1.994300      -1.537400       1.130100    
 H    1.333000      -2.078800     -0.4153000    
 H    3.732400      -2.250700     -0.5473000    
 H    3.087200      -1.067100      -1.698400    
 H   0.2030000       4.605200     -0.3704000    
 H   -2.390800      -3.893200       1.314800    
 H   -3.666100       2.889500      0.2525000    
 H   -2.466100      -2.311600      -2.661400    
 H    2.102700       1.873200      0.8328000    
 H    2.120600       3.357800     -4.1900001E-02
 H    1.990800       1.915200     -0.9970000    
 H   0.2746000      -2.132600       2.514400    
 H   -1.254300      -2.820500       3.026300    
 H   -1.111100      -1.079600       2.928300    
 H   -2.620900     -0.1929000       1.598500    
 H   -3.846400      0.7586000       1.014500    
 H   -3.214000     -0.2344000     -0.1749000    
 H   -1.007100     -0.5637000      -3.249900    
 H   0.1545000      0.1367000      -2.179000    
 H   -1.540200      0.7273000      -2.199200    
 H   -2.245800       4.843800     -0.2283000    
 H   -3.148300      -4.027600      -1.026900    
 H    5.231700      1.2500000E-02  -1.865500    
 H    5.953900      -1.099300     -0.6816000    
 H    6.005900      0.6591000     -0.4280000    
 H    5.071900      0.2979000       1.719100    
 H    4.675000      -1.420500       1.577200    
 H    3.421100     -0.1979000       1.927800    


%chk=000029130-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029130

0 1
O 1.222393 -0.225954 -0.093522
N 4.214166 -0.181928 0.351811
C -0.152453 -0.078236 0.432752
C -0.634059 1.378776 0.220923
C -1.042523 -1.202424 -0.148192
C 0.122756 2.399117 -0.451669
C -1.414359 -2.311477 0.681510
C -1.897040 1.726307 0.812583
C -1.428994 -1.198381 -1.527925
C 1.968994 -1.349309 0.473357
C 3.385857 -1.317801 -0.109946
C -0.436397 3.703228 -0.554313
C -2.191381 -3.364847 0.135053
C -2.412428 3.038030 0.675550
C -2.209398 -2.267796 -2.033689
C 1.503733 2.232781 -1.077843
C -1.023721 -2.425929 2.151496
C -2.716810 0.747535 1.640548
C -1.016613 -0.101707 -2.494308
C -1.693113 4.030847 -0.014778
C -2.599296 -3.345026 -1.212873
C 5.365284 0.064738 -0.539619
C 4.625336 -0.291154 1.764177
H -0.106546 -0.227485 1.534114
H 1.983578 -1.271028 1.583592
H 1.489709 -2.315308 0.203015
H 3.872298 -2.305647 0.114835
H 3.288429 -1.247533 -1.209232
H 0.144387 4.473876 -1.074943
H -2.474797 -4.206115 0.778809
H -3.382427 3.276447 1.127804
H -2.506742 -2.251378 -3.089072
H 2.251237 1.864656 -0.356430
H 1.840326 3.202707 -1.487211
H 1.501591 1.495959 -1.899339
H 0.068203 -2.367750 2.307053
H -1.361466 -3.395420 2.555930
H -1.484656 -1.635346 2.772139
H -2.151799 0.395598 2.526029
H -3.632676 1.236074 2.014030
H -3.017176 -0.146839 1.068542
H -1.299628 -0.370992 -3.526634
H 0.074458 0.058010 -2.463679
H -1.490993 0.865090 -2.250672
H -2.096615 5.044388 -0.118060
H -3.203822 -4.162811 -1.621027
H 5.007447 0.241457 -1.569355
H 6.099972 -0.781472 -0.566534
H 5.904653 0.969564 -0.206404
H 5.187908 0.613748 2.054503
H 5.274622 -1.183172 1.966463
H 3.741188 -0.356467 2.421251


