%chk=000151031.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151031

0 1
 O  -0.6172000       1.065900      0.9350000    
 O   -3.179700     -0.4619000     -0.8708000    
 O    2.059900       1.645700     -0.2802000    
 O    1.930000     -0.2088000      -1.586800    
 N   -1.935100       1.015900      0.4318000    
 N    1.803200      -1.721600      0.7679000    
 C  -0.1723000     -0.2949000      0.9041000    
 C    1.339400     -0.3337000      0.7864000    
 C  -0.8757000     -0.9034000     -0.2962000    
 C   -2.154600     -0.1321000     -0.2951000    
 C    1.802100      0.3289000     -0.4961000    
 H  -0.5034000     -0.7735000       1.835900    
 H    1.806500      0.1841000       1.632600    
 H   -1.057500      -1.973300     -0.1655000    
 H  -0.4053000     -0.7254000      -1.264300    
 H   -2.578500       1.764400      0.6546000    
 H    1.505100      -2.193000       1.621200    
 H    2.822500      -1.741100      0.7747000    
 H    2.357400       2.098500      -1.098000    


%chk=000151031-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151031

0 1
O -0.693379 1.111661 0.863840
O -3.281884 -0.485348 -1.061836
O 2.488811 1.644015 -0.000357
O 1.726300 0.062366 -1.521997
N -2.041498 0.962924 0.312367
N 1.826403 -1.664516 0.972664
C -0.224540 -0.328211 0.938599
C 1.319232 -0.287043 0.904396
C -0.964119 -1.042421 -0.210056
C -2.245514 -0.203939 -0.403197
C 1.826628 0.465797 -0.339385
H -0.534370 -0.737348 1.918385
H 1.660260 0.266318 1.794381
H -1.228562 -2.081709 0.034862
H -0.394317 -1.028241 -1.156818
H -2.577592 1.830505 0.294203
H 2.761534 -1.755953 1.376464
H 1.717401 -2.192405 0.100401
H 2.806007 2.104249 -0.825718


