%chk=000042076.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042076

0 1
 O    3.897300       1.489200       2.180400    
 N   -2.766800     -0.9938000     -0.6112000    
 N   4.0800001E-02 -0.8469000     -0.1434000    
 C   -2.178600      0.1800000      4.9699999E-02
 C   -1.816400      -1.566700      -1.575400    
 C  -0.8870000     -0.1944000      0.7795000    
 C  -0.5168000      -1.979400     -0.8818000    
 C   -4.019500     -0.6361000      -1.275200    
 C    1.369900     -0.5396000     -0.1776000    
 C    1.707800      0.8729000     -0.4959000    
 C   -5.035900     -0.1029000     -0.3073000    
 C    2.300100      -1.484300      6.1799999E-02
 C    2.728100       1.591600      0.1476000    
 C    3.760200      -1.346000      0.1224000    
 C   -5.928000     -0.9595000      0.3289000    
 C    4.407100     -0.2317000      0.6680000    
 C   0.9362000       1.565900      -1.450800    
 C    3.664600      0.9661000       1.098400    
 C   -5.069400       1.265300     -5.8300000E-02
 C    2.939500       2.954000     -0.1177000    
 C    4.543900      -2.443600     -0.2690000    
 C   -6.864200     -0.4423000       1.224300    
 C    1.154700       2.918500      -1.727400    
 C   -5.905600      -2.430600      7.2600000E-02
 C   -6.005600       1.782500      0.8372000    
 C    5.800400     -0.2097000      0.8186000    
 C    2.150600       3.614700      -1.054000    
 C   -6.902900      0.9286000       1.478400    
 C    5.934000      -2.418700     -0.1346000    
 C    6.561300      -1.303000      0.4116000    
 H   -2.828300      0.5740000      0.8354000    
 H   -1.983100      0.9841000     -0.6709000    
 H   -1.595200     -0.8472000      -2.375100    
 H   -2.251500      -2.456400      -2.046200    
 H  -0.4522000      0.7065000       1.229200    
 H   -1.106700     -0.8818000       1.606800    
 H  -0.7019000      -2.810100     -0.1891000    
 H   0.1834000      -2.341100      -1.645300    
 H   -4.427300      -1.500100      -1.813200    
 H   -3.842500      0.1148000      -2.059400    
 H    1.958400      -2.499900      0.2663000    
 H   0.1467000       1.059600      -2.002300    
 H   -4.389600       1.948300     -0.5605000    
 H    3.731500       3.504300      0.3846000    
 H    4.078000      -3.338100     -0.6785000    
 H   -7.571500      -1.093100       1.731500    
 H   0.5415000       3.425500      -2.466900    
 H   -6.231000      -2.648500     -0.9497000    
 H   -4.906300      -2.845600      0.2384000    
 H   -6.582300      -2.965900      0.7484000    
 H    6.303700      0.6572000       1.239200    
 H   -6.038300       2.850400       1.032400    
 H    2.320100       4.666100      -1.265500    
 H   -7.632600       1.331600       2.174700    
 H    6.524100      -3.275400     -0.4469000    
 H    7.641500      -1.285300      0.5215000    


%chk=000042076-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042076

0 1
O 4.590623 1.436413 2.107869
N -2.849682 -0.852208 -0.843914
N 0.000865 -0.355140 -0.656089
C -2.340052 0.473058 -0.418976
C -1.891372 -1.492926 -1.773944
C -0.970106 0.318691 0.255310
C -0.509071 -1.662510 -1.116890
C -4.224388 -0.796248 -1.418968
C 1.391581 -0.195615 -0.378433
C 1.874530 1.211805 -0.394866
C -5.274968 -0.326092 -0.421552
C 2.202758 -1.311983 -0.245190
C 3.016936 1.698384 0.319402
C 3.634881 -1.429003 -0.006313
C -5.658434 -1.141187 0.688022
C 4.465126 -0.450960 0.639014
C 1.125598 2.149868 -1.172197
C 4.007587 0.890570 1.112559
C -5.892941 0.935246 -0.604443
C 3.315959 3.092773 0.286054
C 4.231265 -2.693134 -0.326447
C -6.641404 -0.649535 1.582993
C 1.458564 3.512462 -1.225547
C -5.045070 -2.513090 0.905873
C -6.876326 1.411282 0.291752
C 5.827710 -0.760116 0.920886
C 2.555856 3.997194 -0.471829
C -7.249895 0.612700 1.394581
C 5.580978 -2.970981 -0.068005
C 6.394683 -1.992736 0.561985
H -3.052151 0.917535 0.297545
H -2.247629 1.171679 -1.291582
H -1.769786 -0.895970 -2.714581
H -2.277869 -2.491380 -2.053357
H -0.578881 1.307011 0.542441
H -1.091749 -0.286432 1.181599
H -0.597137 -2.388295 -0.274455
H 0.191441 -2.078279 -1.862927
H -4.464470 -1.821265 -1.765067
H -4.255941 -0.133684 -2.321308
H 1.707543 -2.284670 -0.345448
H 0.281288 1.764611 -1.752030
H -5.597191 1.551012 -1.463442
H 4.171761 3.434789 0.875906
H 3.602610 -3.458532 -0.797424
H -6.936871 -1.269975 2.437968
H 0.871379 4.193820 -1.851126
H -5.366014 -3.224741 0.118850
H -3.943057 -2.457244 0.860615
H -5.348212 -2.935769 1.878994
H 6.417680 0.000080 1.442448
H -7.341859 2.390009 0.131584
H 2.819312 5.060071 -0.489552
H -8.008755 0.966299 2.101805
H 6.002700 -3.943156 -0.346577
H 7.448466 -2.200504 0.775121


