%chk=000050421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050421

0 1
 O    4.481200     -7.9999998E-04 -0.9764000    
 O    3.724100     -0.7197000       1.069300    
 N    1.474100      0.8723000      0.6803000    
 N    2.509600      0.7689000     -0.2321000    
 C  -0.9496000      0.6407000       1.037100    
 C   0.2177000      0.4676000      6.4599998E-02
 C   -2.254000      0.2040000      0.4192000    
 C   -3.022400       1.127400     -0.2737000    
 C   -2.664200      -1.113800      0.5544000    
 C   -4.229200      0.7235000     -0.8448000    
 C   -3.870900      -1.517700     -1.6899999E-02
 C   -4.653500     -0.5990000     -0.7164000    
 C    3.582600     -4.7400001E-02  5.2400000E-02
 C    5.654600     -0.8060000     -0.8172000    
 H   -1.028700       1.688600       1.355800    
 H  -0.7691000      6.4199999E-02   1.954300    
 H   3.0300001E-02   1.061900     -0.8398000    
 H   0.2822000     -0.5830000     -0.2473000    
 H   -2.699700       2.159100     -0.3808000    
 H   -2.061000      -1.837100       1.095600    
 H    1.420200       1.851500      0.9590000    
 H   -4.838300       1.438700      -1.389900    
 H   -4.201200      -2.547600      8.2500003E-02
 H   -5.593000     -0.9135000      -1.161400    
 H    2.464500       1.311000      -1.089000    
 H    5.380500      -1.862000     -0.7339000    
 H    6.219800     -0.4817000      6.1700001E-02
 H    6.279500     -0.6746000      -1.704500    


%chk=000050421-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050421

0 1
O 4.557599 -0.020337 -0.936384
O 3.624607 -0.822938 1.078755
N 1.478614 1.055308 0.566685
N 2.625007 0.897024 -0.224325
C -0.939015 0.754998 0.988028
C 0.207566 0.609144 -0.043358
C -2.263166 0.257555 0.427672
C -3.189099 1.151504 -0.168233
C -2.580131 -1.125642 0.455834
C -4.400107 0.678488 -0.723719
C -3.788714 -1.603389 -0.097863
C -4.703585 -0.702041 -0.691219
C 3.582325 -0.059129 0.091260
C 5.675401 -0.965018 -0.751914
H -1.029180 1.819937 1.283239
H -0.650774 0.186651 1.891266
H -0.054561 1.173262 -0.971509
H 0.320513 -0.453195 -0.324267
H -2.963189 2.225325 -0.190382
H -1.877781 -1.829068 0.920754
H 1.441190 1.977235 1.018986
H -5.106107 1.384318 -1.176154
H -4.019347 -2.674250 -0.062879
H -5.642895 -1.070760 -1.118412
H 2.735120 1.389262 -1.119941
H 5.304585 -2.003708 -0.715601
H 6.218759 -0.745425 0.183143
H 6.322466 -0.809611 -1.627363


