%chk=000100527.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100527

0 1
 O   0.6222000      -1.788800     -9.7700000E-02
 O    2.761000      -2.623700     -0.1170000    
 N   -3.894800     -8.7399997E-02 -1.5500000E-02
 C    1.700600      0.7797000      7.7500001E-02
 C    2.463600       2.056200      0.1668000    
 C    3.889100       1.608900     -0.1795000    
 C    3.945900      9.8399997E-02  6.9499999E-02
 C    2.507800     -0.2814000      2.2600001E-02
 C   0.2603000      0.6265000      5.8300000E-02
 C  -0.2476000     -0.6722000     -3.1900000E-02
 C    2.011100      -1.656600     -6.9300003E-02
 C  -0.6390000       1.692700      0.1267000    
 C   -1.617200     -0.9274000     -5.8400001E-02
 C   -2.503600      0.1446000      8.5000005E-03
 C   -2.016300       1.450300      0.1014000    
 C   -4.795800      0.8926000     -0.5756000    
 C   -4.447500      -1.312400      0.5135000    
 H    2.116500       2.812500     -0.5438000    
 H    2.414100       2.466900       1.180900    
 H    4.091900       1.814900      -1.238900    
 H    4.641900       2.149900      0.4030000    
 H    4.370700     -0.1254000       1.053800    
 H    4.540200     -0.4037000     -0.6996000    
 H  -0.2892000       2.718700      0.2037000    
 H   -1.961700      -1.953800     -0.1409000    
 H   -2.684500       2.304800      0.1685000    
 H   -5.762700      0.4450000     -0.8324000    
 H   -4.396400       1.324200      -1.500500    
 H   -4.987600       1.698800      0.1405000    
 H   -5.515500      -1.205300      0.7347000    
 H   -3.961800      -1.600200       1.453000    
 H   -4.342000      -2.129900     -0.2075000    


%chk=000100527-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100527

0 1
O 0.591029 -1.782864 0.157032
O 2.706335 -2.716687 0.293054
N -3.938299 -0.095083 -0.020035
C 1.704335 0.806712 0.037589
C 2.516011 2.092150 0.013248
C 3.968651 1.597760 -0.287624
C 4.008055 0.102119 0.162421
C 2.544429 -0.294902 0.119854
C 0.272696 0.662159 0.023600
C -0.254460 -0.668306 0.081390
C 2.054960 -1.655099 0.199928
C -0.670492 1.726964 -0.047220
C -1.632223 -0.933098 0.067118
C -2.565167 0.145149 -0.005069
C -2.048073 1.489404 -0.061207
C -4.887243 1.023143 -0.111212
C -4.441911 -1.474249 0.047266
H 2.151383 2.819237 -0.735677
H 2.453040 2.591808 1.001912
H 4.153718 1.656679 -1.375697
H 4.733598 2.213000 0.216261
H 4.408357 -0.008133 1.190244
H 4.637311 -0.528475 -0.489716
H -0.303939 2.758931 -0.089640
H -1.950208 -1.976245 0.112785
H -2.733013 2.339060 -0.114795
H -5.914776 0.627896 -0.129379
H -4.735358 1.616571 -1.035077
H -4.802485 1.708900 0.755948
H -5.542858 -1.464018 0.038367
H -4.112043 -1.984012 0.974476
H -4.097658 -2.079071 -0.815744


