%chk=000097904.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097904

0 1
 O    2.657300       1.524900      0.9025000    
 N    2.026700     -8.2599998E-02 -0.6674000    
 C    1.096100     -0.8510000      0.1799000    
 C  -0.3048000     -0.3474000      8.4600002E-02
 C    1.213800      -2.342900     -0.1813000    
 C  -0.7752000      0.1829000      -1.116700    
 C   -1.144400     -0.4067000       1.197000    
 C   -2.085000      0.6540000      -1.205600    
 C   -2.454300      6.4099997E-02   1.108100    
 C   -2.924800      0.5945000     -9.3300000E-02
 C    2.694600       1.010200     -0.2077000    
 H    1.445600     -0.7264000       1.213300    
 H   0.5790000      -2.955500      0.4678000    
 H    2.248300      -2.686700     -7.1800001E-02
 H   0.9104000      -2.526200      -1.218500    
 H  -0.1514000      0.2285000      -2.004800    
 H  -0.7912000     -0.8192000       2.138400    
 H    2.137700     -0.3547000      -1.640100    
 H   -2.452900       1.063600      -2.141800    
 H   -3.108300      1.7300000E-02   1.973900    
 H   -3.945100      0.9602000     -0.1629000    
 H    3.328300       1.436300      -1.003300    


%chk=000097904-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097904

0 1
O 3.421999 -0.368990 1.635019
N 1.951653 0.263529 -0.074535
C 1.016173 -0.882171 0.086994
C -0.427630 -0.377988 -0.041309
C 1.401460 -2.036243 -0.863281
C -1.324697 -0.862251 -1.024735
C -0.888341 0.611853 0.868508
C -2.648616 -0.368275 -1.100622
C -2.207565 1.105995 0.796045
C -3.095057 0.616957 -0.192715
C 3.078607 0.417445 0.706550
H 1.183393 -1.232096 1.124624
H 0.753847 -2.915831 -0.696835
H 2.444005 -2.336299 -0.664635
H 1.322475 -1.738193 -1.924868
H -1.000214 -1.629811 -1.735200
H -0.203993 0.991252 1.637374
H 1.756391 0.943630 -0.813208
H -3.329603 -0.755300 -1.867170
H -2.545824 1.865534 1.509884
H -4.120927 0.997457 -0.250745
H 3.662863 1.326995 0.435159


