%chk=000044463.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044463

0 1
 O    1.587000      -1.423300       1.643100    
 O   -4.401300     -0.6517000       1.252000    
 N   0.1303000       2.208400      8.2199998E-02
 C    1.454400      0.1793000     -0.1767000    
 C    1.597200      -1.300900      0.2216000    
 C    2.689400      0.9913000      0.2453000    
 C   0.1873000      0.8033000      0.4108000    
 C    2.894200      -1.900500     -0.3282000    
 C    3.976800      0.3820000     -0.3053000    
 C    4.121100      -1.086400      8.2500003E-02
 C   -1.068600      8.0100000E-02 -2.2299999E-02
 C   -1.007100       2.861200      0.7439000    
 C   4.1099999E-02   2.409200      -1.370300    
 C   -2.160600      5.2700002E-02  0.8280000    
 C   -1.099000     -0.5395000      -1.259900    
 C   -3.318600     -0.6144000      0.4283000    
 C   -2.256800      -1.206700      -1.659500    
 C   -3.366700      -1.244100     -0.8153000    
 H    1.462100      0.1909000      -1.271900    
 H   0.7736000      -1.916400     -0.1468000    
 H    2.756500       1.059000       1.338100    
 H    2.638700       2.021800     -0.1236000    
 H   0.2673000      0.7142000       1.504100    
 H    2.840200      -1.950900      -1.422500    
 H    3.016700      -2.924700      4.3699998E-02
 H    4.839900      0.9465000      6.5499999E-02
 H    3.984200      0.4722000      -1.398700    
 H    5.011400      -1.504200     -0.4016000    
 H    4.288400      -1.169500       1.162600    
 H    2.328400     -0.9209000       2.015800    
 H   -1.018700       2.656400       1.820300    
 H   -1.982300       2.620400      0.3082000    
 H  -0.8892000       3.948200      0.6536000    
 H  -0.8876000       2.045700      -1.821200    
 H   0.8953000       2.018800      -1.928600    
 H   6.5399997E-02   3.489000      -1.568900    
 H   -2.128500      0.5189000       1.808600    
 H  -0.2817000     -0.5212000      -1.970200    
 H   -2.297300      -1.691700      -2.630600    
 H   -4.263200      -1.766000      -1.139100    
 H   -5.111200      -1.154100      0.8166000    


%chk=000044463-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044463

0 1
O 1.564124 -1.298128 1.857431
O -4.277806 -1.073733 1.415897
N 0.091747 2.256445 -0.034541
C 1.487766 0.149653 -0.195808
C 1.632842 -1.292120 0.375058
C 2.734459 0.998615 0.160059
C 0.163016 0.798824 0.299480
C 2.935961 -1.961852 -0.119607
C 4.036459 0.331882 -0.345604
C 4.188457 -1.107716 0.200332
C -1.093423 0.023873 -0.143939
C -0.900020 2.999253 0.767839
C 0.023346 2.604851 -1.466643
C -2.118988 -0.222707 0.798221
C -1.291516 -0.393079 -1.490518
C -3.314015 -0.867969 0.409711
C -2.486332 -1.039136 -1.872488
C -3.510186 -1.282127 -0.929189
H 1.461744 0.038144 -1.301638
H 0.758768 -1.900706 0.087244
H 2.784088 1.138471 1.261550
H 2.620094 2.013829 -0.256867
H 0.200691 0.751617 1.405849
H 2.865558 -2.105130 -1.217195
H 3.018395 -2.965649 0.337888
H 4.913520 0.944960 -0.061007
H 4.018338 0.296314 -1.455226
H 5.089347 -1.592247 -0.221874
H 4.353646 -1.069488 1.299276
H 2.396852 -0.892341 2.209793
H -0.743476 2.783379 1.840127
H -1.960623 2.753675 0.519614
H -0.755423 4.084738 0.611425
H -0.944415 2.336743 -1.954354
H 0.836268 2.104568 -2.022691
H 0.165489 3.696477 -1.575311
H -1.996612 0.063903 1.848224
H -0.511053 -0.224262 -2.240142
H -2.626092 -1.360598 -2.910837
H -4.438012 -1.786290 -1.230236
H -5.064484 -1.552536 1.054297


