%chk=000147599.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147599

0 1
 O  -0.9074000       3.071500      9.5600002E-02
 O    2.958900      -1.948100      0.8721000    
 O    4.041100     -0.9356000     -0.7251000    
 N   0.4364000       1.365600     -0.1980000    
 N   -3.736200     -0.2423000      0.3574000    
 N   0.1357000       2.522100      0.4653000    
 N    2.430400       1.231300       1.089900    
 N    1.869500     -0.5186000     -0.4457000    
 N    3.004400      -1.152100     -7.8699999E-02
 C  -0.4604000      0.7672000      -1.208000    
 C   -1.526300     -8.3099999E-02 -0.5796000    
 C   -1.309600      -1.431200     -0.3579000    
 C   -2.736200      0.4663000     -0.2130000    
 C    1.613300      0.6378000      0.1359000    
 C   -2.314800      -2.193500      0.2269000    
 C   -3.498900      -1.557300      0.5631000    
 H   9.8999999E-02  0.1823000      -1.950000    
 H  -0.9290000       1.555600      -1.813700    
 H  -0.3804000      -1.913200     -0.6421000    
 H   -2.966100       1.513800     -0.3745000    
 H   -2.177000      -3.252900      0.4106000    
 H   -4.314400      -2.107600       1.020700    
 H    2.224200       2.130600       1.509000    
 H    3.290400      0.7910000       1.398600    


%chk=000147599-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147599

0 1
O -0.767412 3.259441 -0.129854
O 3.017690 -2.442232 -0.544129
O 3.875017 -0.802663 0.791849
N 0.483575 1.380465 -0.298025
N -3.736080 -0.272017 0.505834
N 0.292367 2.674913 0.251964
N 2.453135 1.383156 1.023648
N 1.813933 -0.508022 -0.403106
N 2.960093 -1.277706 -0.026221
C -0.488602 0.761105 -1.247745
C -1.531194 -0.109313 -0.558032
C -1.323902 -1.499016 -0.369798
C -2.753813 0.451674 -0.105242
C 1.663358 0.722851 0.144677
C -2.333041 -2.260976 0.257566
C -3.515113 -1.609051 0.680203
H 0.100892 0.173422 -1.966573
H -0.972160 1.609943 -1.762545
H -0.388300 -1.960131 -0.703138
H -2.956091 1.521924 -0.236676
H -2.210625 -3.336653 0.416833
H -4.320335 -2.165126 1.173500
H 2.179077 2.314737 1.339958
H 3.304130 0.888876 1.323853


