%chk=000052897.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052897

0 1
 O   -4.414000      0.9088000     -5.5599999E-02
 O   -2.783000      0.2274000      -1.482700    
 N   0.3881000      -2.188200      9.0800002E-02
 C   0.1145000      1.2300000E-02  0.3356000    
 C    1.050600     -0.9822000      4.3900002E-02
 C   -1.130900     -0.6389000      0.5588000    
 C    2.393000     -0.6986000     -0.2315000    
 C   0.5367000       1.356600      0.3539000    
 C  -0.9305000      -1.990900      0.4011000    
 C    1.876400       1.655200      8.0200002E-02
 C   -2.413400      9.4999997E-03  0.8991000    
 C    2.788500      0.6419000     -0.2077000    
 C    3.395900      -1.758700     -0.5430000    
 C    2.331000       3.077100      9.8099999E-02
 C   -3.202800      0.3686000     -0.3409000    
 H  -0.1713000       2.149800      0.5787000    
 H   0.8084000      -3.091300     -7.8299999E-02
 H   -1.606400      -2.831000      0.4810000    
 H   -2.243200      0.9255000       1.475200    
 H   -3.025700     -0.6667000       1.507100    
 H    3.826800      0.8947000     -0.4157000    
 H    4.201800      -1.742800      0.1983000    
 H    2.962400      -2.762600     -0.5396000    
 H    3.827400      -1.588100      -1.535000    
 H    2.695800       3.341800       1.095400    
 H    3.135500       3.243200     -0.6266000    
 H    1.515300       3.757600     -0.1687000    
 H   -4.905300       1.155200     -0.8681000    


%chk=000052897-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052897

0 1
O -3.024048 1.720078 -0.375517
O -3.902587 -0.303314 -1.102679
N 0.478948 -2.307509 0.151995
C 0.043892 -0.072221 0.354824
C 1.067933 -1.036702 0.069940
C -1.179924 -0.811528 0.618226
C 2.406343 -0.674369 -0.226951
C 0.369908 1.311517 0.335964
C -0.875053 -2.166360 0.481439
C 1.691468 1.704851 0.046734
C -2.534070 -0.233532 0.968229
C 2.683933 0.707499 -0.228196
C 3.464398 -1.720889 -0.522373
C 2.082103 3.174214 0.017634
C -3.233705 0.334117 -0.262152
H -0.402914 2.063372 0.530151
H 0.959748 -3.191551 0.004571
H -1.525045 -3.032768 0.589277
H -2.433232 0.567488 1.720626
H -3.187967 -1.022352 1.377241
H 3.707635 1.035240 -0.453271
H 3.607915 -2.412238 0.331929
H 3.197933 -2.336041 -1.404895
H 4.439172 -1.249311 -0.731507
H 2.863830 3.400363 0.768070
H 2.486889 3.466250 -0.970263
H 1.216048 3.824380 0.230512
H -3.447953 2.046517 -1.215758


