%chk=000031635.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031635

0 1
 O   -4.450000      -2.012700      0.5419000    
 O   -2.497900      -2.438900     -0.5417000    
 N  -0.6792000     -0.4161000      2.9999999E-02
 C    1.690800     -0.9826000      1.8300001E-02
 C   0.6418000      0.1269000      7.1699999E-02
 C    3.106600     -0.4595000      1.3500000E-02
 C   -1.838400      0.3912000      4.3000001E-03
 C   -3.109600     -0.1819000     -3.5799999E-02
 C    3.724900     -0.1833000      -1.196000    
 C    3.763200     -0.2639000       1.218500    
 C   -1.699400       1.779100      2.0000000E-02
 C   -4.241400      0.6330000     -6.0199998E-02
 C    5.033200      0.3004000      -1.200600    
 C    5.071500      0.2199000       1.213700    
 C   -2.831300       2.593800     -4.3000001E-03
 C   -4.102300       2.020800     -4.4399999E-02
 C    5.706400      0.5021000      4.1000000E-03
 C   -3.288900      -1.628200     -5.3100001E-02
 H    1.556500      -1.664900      0.8687000    
 H    1.531700      -1.605400     -0.8727000    
 H   0.7861000      0.7109000      0.9895000    
 H   0.8049000      0.7975000     -0.7818000    
 H  -0.8002000      -1.421900      4.3900002E-02
 H    3.207900     -0.3351000      -2.139200    
 H    3.276200     -0.4789000       2.165300    
 H  -0.7325000       2.271700      5.3700000E-02
 H   -5.245200      0.2186000     -0.1053000    
 H   -2.723700       3.674600      7.8999996E-03
 H    5.527400      0.5208000      -2.142200    
 H    5.595700      0.3777000       2.151700    
 H   -4.983200       2.655600     -6.6399999E-02
 H    6.724800      0.8791000      5.0000002E-04
 H   -4.563200      -2.987100      0.5265000    


%chk=000031635-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031635

0 1
O -4.630038 -2.080011 0.065922
O -2.353600 -2.489187 0.068764
N -0.696694 -0.375206 0.038266
C 1.687760 -1.026780 0.013244
C 0.673504 0.144513 0.030052
C 3.121528 -0.518198 0.006376
C -1.825911 0.413723 0.032586
C -3.150471 -0.178809 0.041156
C 3.788647 -0.247262 -1.216023
C 3.805485 -0.261837 1.222608
C -1.733555 1.844635 0.018017
C -4.301104 0.660781 0.032897
C 5.103926 0.269494 -1.224722
C 5.120778 0.254965 1.219283
C -2.887918 2.640297 0.010313
C -4.185369 2.057801 0.016972
C 5.774365 0.523730 -0.005721
C -3.298540 -1.633851 0.059241
H 1.507358 -1.662865 0.901039
H 1.493201 -1.649191 -0.881074
H 0.860453 0.776115 0.924160
H 0.843332 0.786854 -0.859467
H -0.864424 -1.393815 0.053076
H 3.277072 -0.449598 -2.165555
H 3.307061 -0.475550 2.176633
H -0.749369 2.321190 0.014130
H -5.283838 0.180896 0.039510
H -2.782586 3.731568 -0.000788
H 5.606231 0.468561 -2.178195
H 5.636199 0.442769 2.168033
H -5.077984 2.690398 0.010504
H 6.795426 0.921253 -0.010400
H -4.617724 -3.074084 0.079161


