%chk=000096127.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096127

0 1
 O    1.917900      0.6036000      0.3303000    
 O  -0.6357000      -2.466000       1.244800    
 O    2.869000      0.7595000      -1.759000    
 N  -5.6899998E-02 -0.8907000     -0.4483000    
 C   0.8528000     -0.5145000      -1.491800    
 C   -1.249000     -6.1999999E-02 -0.2472000    
 C   9.9699996E-02  -2.075400      0.3346000    
 C   -2.389200     -0.6901000      0.1502000    
 C   -1.128600       1.274900     -0.4719000    
 C    1.991900      0.3502000      -1.005200    
 C   -3.523800      9.8399997E-02  0.3420000    
 C   -2.263300       2.063300     -0.2800000    
 C    1.275700      -2.945400     -4.5800000E-02
 C   -3.460800       1.475000      0.1271000    
 C    2.965500       1.417900      0.8677000    
 C    2.734800       1.601500       2.352600    
 H    1.292200      -1.400900      -1.956300    
 H   0.3197000      1.8500000E-02  -2.287700    
 H   -2.511700      -1.760700      0.2507000    
 H  -0.2178000       1.771800     -0.7794000    
 H   -4.461500     -0.3614000      0.6406000    
 H   -2.214700       3.135600     -0.4461000    
 H    1.377400      -3.753900      0.6854000    
 H    2.206800      -2.374000     -3.5500001E-02
 H    1.108600      -3.395600      -1.027700    
 H   -4.345200       2.088400      0.2726000    
 H    3.930900      0.9274000      0.7009000    
 H    2.961200       2.393500      0.3690000    
 H    3.518800       2.220900       2.797000    
 H    1.763900       2.073700       2.535600    
 H    2.717500      0.6324000       2.862200    


%chk=000096127-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096127

0 1
O 2.136421 0.436649 0.395860
O -0.713654 -2.465322 1.249568
O 2.284320 1.498498 -1.674203
N -0.175479 -0.932786 -0.454324
C 0.830871 -0.480114 -1.429800
C -1.363197 -0.113884 -0.321040
C 0.090486 -2.060691 0.360969
C -2.564425 -0.612111 0.258663
C -1.350213 1.222265 -0.814383
C 1.809458 0.602189 -0.939331
C -3.707518 0.210762 0.334645
C -2.502820 2.032394 -0.731519
C 1.408490 -2.802223 0.129007
C -3.692184 1.535444 -0.156823
C 3.076045 1.449165 0.984332
C 3.207085 1.116535 2.465663
H 1.437992 -1.337058 -1.762986
H 0.334977 -0.077785 -2.328027
H -2.590375 -1.623519 0.661203
H -0.451778 1.658266 -1.260619
H -4.620278 -0.196627 0.783899
H -2.461783 3.056814 -1.118074
H 1.459166 -3.597220 0.886995
H 2.281139 -2.137289 0.247130
H 1.452260 -3.276617 -0.869663
H -4.585735 2.165376 -0.092940
H 4.035597 1.380117 0.440708
H 2.647902 2.451826 0.807005
H 3.885973 1.841635 2.950226
H 2.226550 1.167123 2.967986
H 3.620809 0.104085 2.611274


