%chk=000168028.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168028

0 1
 O    2.471000       1.930300     -0.7967000    
 N   -3.866500     -0.8099000     -0.4117000    
 C   -2.540200     -0.4351000      9.1700003E-02
 C   -1.469600     -0.9447000     -0.8962000    
 C   -2.470000       1.090800      0.2927000    
 C  -5.7900000E-02 -0.6727000     -0.4571000    
 C   -3.537700       1.623700       1.241300    
 C   0.5606000      0.5132000     -0.8321000    
 C   0.6116000      -1.611100      0.3178000    
 C    2.551600     -0.1714000      0.3531000    
 C    1.870900      0.7649000     -0.4251000    
 C    1.922000      -1.359500      0.7244000    
 C    3.954200      8.1200004E-02  0.7978000    
 H   -2.391100     -0.9260000       1.062000    
 H   -1.630000     -0.4990000      -1.888100    
 H   -1.589000      -2.026800      -1.046900    
 H   -1.501500       1.364600      0.7240000    
 H   -2.555400       1.609900     -0.6700000    
 H   3.7900001E-02   1.244300      -1.443300    
 H   -3.355700       2.683500       1.449000    
 H   -4.540500       1.545000      0.8108000    
 H   -3.522300       1.086200       2.194600    
 H   0.1297000      -2.538500      0.6145000    
 H   -4.572700     -0.6232000      0.2985000    
 H   -3.897400      -1.815500     -0.5768000    
 H    2.437700      -2.099200       1.330800    
 H    4.343300     -0.7482000       1.398800    
 H    4.618800      0.1921000     -6.5499999E-02
 H    4.005800      0.9809000       1.420000    
 H    3.375500       1.982700     -0.4507000    


%chk=000168028-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168028

0 1
O 2.692050 1.813206 -1.080447
N -3.889593 -0.884210 -0.461003
C -2.574915 -0.443291 0.052586
C -1.495844 -0.825048 -1.006305
C -2.602401 1.078864 0.323385
C -0.068279 -0.602700 -0.533110
C -3.583008 1.497202 1.442097
C 0.694508 0.488978 -1.007738
C 0.524881 -1.479064 0.414595
C 2.618249 -0.169755 0.403551
C 2.011981 0.698532 -0.546492
C 1.842867 -1.259640 0.868755
C 4.039141 0.071846 0.883890
H -2.293607 -0.949025 1.012277
H -1.707293 -0.248020 -1.925237
H -1.636470 -1.896520 -1.259884
H -1.580279 1.401181 0.597666
H -2.868702 1.590861 -0.622420
H 0.280904 1.188177 -1.742028
H -3.491596 2.576791 1.660861
H -4.638140 1.314378 1.162492
H -3.375484 0.945628 2.379229
H -0.044122 -2.338679 0.788163
H -4.686907 -0.592758 0.111820
H -3.934206 -1.879637 -0.702171
H 2.287709 -1.948239 1.597703
H 4.337679 -0.698575 1.613920
H 4.776089 0.031504 0.055632
H 4.151110 1.053042 1.389078
H 3.606776 1.877473 -0.709264


