%chk=000151939.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151939

0 1
 O   -1.540300      -2.030300     -0.5365000    
 O    1.086200      -2.417400      0.5125000    
 O    2.877800     -0.2384000     -5.0400000E-02
 O   -2.694600      0.8880000       1.141300    
 O    1.833500       2.264300     -4.0700000E-02
 N  -0.2739000       1.434600     -0.3349000    
 C  -0.7815000     -0.9703000      4.3400001E-02
 C   -1.188800      0.3400000     -0.6310000    
 C   0.7052000      -1.228300     -0.1835000    
 C    1.531900     -8.1200004E-02  0.3794000    
 C    1.062900       1.302300     -3.6100000E-02
 C   -2.618400      0.7368000     -0.2637000    
 H  -0.9841000     -0.9707000       1.121500    
 H   -1.154000      0.2103000      -1.720600    
 H   0.9202000      -1.400700      -1.245100    
 H    1.538100     -0.1125000       1.475300    
 H  -0.5851000       2.368800     -0.5844000    
 H   -3.345600     -1.9099999E-02 -0.5731000    
 H   -2.903200       1.685900     -0.7305000    
 H   -2.448300      -1.967000     -0.1960000    
 H   0.5271000      -3.139800      0.1789000    
 H    2.885000     -0.2451000      -1.022900    
 H   -2.051400       1.570300       1.399300    


%chk=000151939-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151939

0 1
O -1.620675 -2.072461 -0.394894
O 1.015377 -2.534880 0.428292
O 2.906247 -0.365175 -0.387586
O -2.859590 0.863533 1.143013
O 1.918811 2.196512 -0.084268
N -0.253794 1.423543 -0.359028
C -0.801533 -0.937076 0.053210
C -1.226298 0.350764 -0.685024
C 0.658267 -1.304163 -0.270341
C 1.594069 -0.197990 0.221110
C 1.091649 1.233699 -0.095630
C -2.652276 0.800547 -0.306284
H -0.910109 -0.789683 1.146761
H -1.215924 0.140740 -1.776768
H 0.775104 -1.422064 -1.369576
H 1.665617 -0.282015 1.328962
H -0.506759 2.387815 -0.605806
H -3.380427 0.059982 -0.673026
H -2.882446 1.775743 -0.788294
H -2.418889 -2.149772 0.183806
H 0.342921 -3.215802 0.161109
H 3.372360 0.511946 -0.299898
H -2.213004 1.506753 1.532361


