%chk=000053466.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053466

0 1
 O    4.209900       2.039500      0.4369000    
 O   -1.869400       3.026500     -0.6140000    
 N   -1.459900     -0.9360000     -3.2800000E-02
 N  -0.3447000     -0.2001000      8.7899998E-02
 N   0.1381000      -2.396900     -0.3283000    
 C   -2.724400     -0.3727000      9.1200002E-02
 C    1.997100     -0.8309000     -6.5300003E-02
 C   0.5932000      -1.130400     -9.9399999E-02
 C   -2.955300      0.9533000     -0.2665000    
 C   -1.164500      -2.240400     -0.2802000    
 C   -3.763500      -1.159900      0.5812000    
 C    2.426400      0.4750000      0.1715000    
 C    2.931800      -1.846300     -0.2683000    
 C    3.790300      0.7655000      0.2053000    
 C   -4.233700       1.495400     -0.1334000    
 C   -5.041800     -0.6177000      0.7142000    
 C    4.295600      -1.555800     -0.2345000    
 C    4.724800     -0.2500000      2.4000001E-03
 C   -5.276900      0.7098000      0.3569000    
 C   -1.891300       1.806600     -0.7835000    
 C    5.618500       2.265400      0.4588000    
 H   -1.895800      -3.022900     -0.4312000    
 H   -3.615000      -2.192200      0.8864000    
 H    1.722000       1.288000      0.3332000    
 H    2.629200      -2.873700     -0.4550000    
 H   -4.439500       2.526400     -0.4098000    
 H   -5.853600      -1.227800       1.099700    
 H    5.022800      -2.347100     -0.3926000    
 H    5.798200     -9.4800003E-02  1.5400000E-02
 H   -6.272300       1.131800      0.4606000    
 H   -1.132000       1.348500      -1.436100    
 H    6.075600       2.050800     -0.5132000    
 H    6.101400       1.717100       1.274800    
 H    5.771800       3.331400      0.6556000    


%chk=000053466-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053466

0 1
O 4.300472 2.008576 0.567329
O -2.456296 3.032942 -1.502514
N -1.502626 -0.920696 -0.114339
N -0.307354 -0.194181 0.039638
N 0.130707 -2.423366 -0.450593
C -2.792314 -0.326989 0.073055
C 2.093271 -0.867116 -0.105051
C 0.652227 -1.147599 -0.169141
C -3.098480 0.994931 -0.369967
C -1.199772 -2.246788 -0.404694
C -3.779468 -1.107412 0.724288
C 2.559600 0.432805 0.199292
C 3.019274 -1.918503 -0.351515
C 3.949410 0.685738 0.257156
C -4.404436 1.501729 -0.128106
C -5.072855 -0.588240 0.932141
C 4.399412 -1.651417 -0.290276
C 4.881175 -0.355624 0.012459
C -5.387999 0.726692 0.511711
C -2.147418 1.867184 -1.131303
C 5.726207 2.333847 0.638395
H -1.950777 -3.006086 -0.602718
H -3.523516 -2.103749 1.098981
H 1.859049 1.249762 0.394468
H 2.639544 -2.916898 -0.585035
H -4.612444 2.519460 -0.476685
H -5.824504 -1.200735 1.441232
H 5.117257 -2.457111 -0.479651
H 5.959046 -0.173323 0.054300
H -6.387771 1.136536 0.686581
H -1.153244 1.437202 -1.365879
H 6.229762 2.158921 -0.332580
H 6.234943 1.750202 1.430570
H 5.763022 3.404707 0.886351


