%chk=000148738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148738

0 1
 O    3.934500     -0.4212000      0.4815000    
 O   -2.292100      0.1870000      -2.309000    
 O   -4.894700       2.291900      0.8470000    
 N   -2.327300     -0.7093000     -0.1590000    
 N   -3.494300       1.271500     -0.6818000    
 C   -2.628700     -0.4609000       1.244200    
 C   -1.446900      -1.823600     -0.4707000    
 C   -4.012900      0.1324000       1.404300    
 C  -1.2900000E-02  -1.449400     -0.2172000    
 C   -2.665800      0.2353000      -1.135100    
 C   -4.169100       1.351100      0.5322000    
 C   0.5424000      -1.674400       1.035600    
 C   0.7390000     -0.8842000      -1.238900    
 C    2.636500     -0.7597000      0.2514000    
 C    1.872900      -1.328100       1.270900    
 C    2.069600     -0.5379000      -1.003700    
 C    4.459800      0.6792000     -0.2594000    
 C    5.546300       1.353000      0.5647000    
 C    6.143700       2.547400     -0.1572000    
 H   -1.868900      0.2304000       1.627400    
 H   -2.568200      -1.397900       1.807800    
 H   -1.575200      -2.104300      -1.523300    
 H   -1.744100      -2.698600      0.1195000    
 H   -4.184000      0.4129000       2.448500    
 H   -4.781700     -0.5903000       1.107700    
 H   -3.661300       2.030000      -1.337400    
 H  -4.0899999E-02  -2.119100       1.836900    
 H   0.3138000     -0.7163000      -2.224000    
 H    2.309300      -1.503700       2.250400    
 H    2.636700     -0.1247000      -1.832500    
 H    3.685300       1.427700     -0.4720000    
 H    4.877200      0.3079000      -1.202600    
 H    5.133000       1.670600       1.529700    
 H    6.333800      0.6268000      0.7988000    
 H    5.380300       3.304700     -0.3624000    
 H    6.923700       3.009600      0.4558000    
 H    6.593600       2.246000      -1.108500    


%chk=000148738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148738

0 1
O 3.868171 0.013306 0.776751
O -2.613406 -0.191340 -2.437679
O -5.476732 1.998568 0.500913
N -2.511660 -0.821823 -0.173218
N -3.929358 0.946723 -0.881225
C -2.767995 -0.407662 1.224249
C -1.458836 -1.837959 -0.438422
C -4.222316 0.067686 1.391786
C -0.047654 -1.342989 -0.140145
C -2.973819 -0.057133 -1.230728
C -4.608463 1.101480 0.336919
C 0.662349 -1.789861 1.004461
C 0.583064 -0.414306 -1.004614
C 2.576260 -0.389815 0.413102
C 1.960819 -1.323291 1.284056
C 1.883252 0.066834 -0.738496
C 4.565680 0.977019 -0.097283
C 5.939093 1.237079 0.525370
C 6.763645 2.237687 -0.313773
H -2.061750 0.393406 1.524952
H -2.576039 -1.276004 1.878434
H -1.558906 -2.110523 -1.502927
H -1.692435 -2.728842 0.174247
H -4.381088 0.516977 2.385514
H -4.920092 -0.786686 1.295208
H -4.204755 1.559109 -1.655725
H 0.199958 -2.519990 1.681121
H 0.048783 -0.069493 -1.897844
H 2.516995 -1.667620 2.161307
H 2.342884 0.780035 -1.428648
H 3.975194 1.915209 -0.162845
H 4.666325 0.549328 -1.116944
H 5.798430 1.622550 1.552340
H 6.478134 0.275547 0.614411
H 6.251386 3.214783 -0.395756
H 7.750215 2.414806 0.149320
H 6.937068 1.859005 -1.338589


