%chk=000129944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129944

0 1
 O  -0.4488000      0.8211000     -0.5935000    
 O  -4.1700002E-02   2.342800       1.088900    
 O    2.587700       2.269400      0.6747000    
 N   -3.018700     -0.6965000       1.262400    
 C   -2.618200     -8.3300002E-02  -1.230800    
 C   -1.839800      0.8606000     -0.2963000    
 C   -4.105200      3.6100000E-02 -0.8682000    
 C   -2.186200      -1.531300     -0.9400000    
 C   -2.062300      0.4303000       1.164800    
 C   -4.292600     -0.3045000      0.6197000    
 C   -2.456000      -1.856500      0.5377000    
 C   0.3511000       1.618600      0.1822000    
 C    1.814900       1.481200     -0.2361000    
 C    2.291900      4.2399999E-02 -8.9400001E-02
 C    1.993700       2.117900      -1.620800    
 C    2.154900     -0.8173000      -1.159600    
 C    2.845900     -0.3569000       1.109200    
 C    2.591500      -2.135300      -1.025100    
 C    3.282600      -1.674800       1.243700    
 C    3.155300      -2.564000      0.1764000    
 H   -2.436000      0.1600000      -2.282700    
 H   -2.199300       1.886800     -0.4515000    
 H   -4.700000     -0.6464000      -1.486900    
 H   -4.463700       1.052800      -1.067700    
 H   -1.122500      -1.667400      -1.166800    
 H   -2.743400      -2.224500      -1.581500    
 H   -1.137000      0.1277000       1.670000    
 H   -2.458600       1.275600       1.742000    
 H   -4.724600      0.5543000       1.148800    
 H   -5.025500      -1.113900      0.7276000    
 H   -3.142300      -2.709200      0.6144000    
 H   -1.527800      -2.183000       1.023400    
 H    1.368200       1.652900      -2.389600    
 H    1.731900       3.182900      -1.596700    
 H    3.039600       2.059900      -1.944100    
 H    2.320600       3.199600      0.5785000    
 H    1.708500     -0.5163000      -2.100700    
 H    2.941200      0.3047000       1.964200    
 H    2.488900      -2.828900      -1.854600    
 H    3.717300      -2.010500       2.180800    
 H    3.493300      -3.590700      0.2818000    


%chk=000129944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129944

0 1
O -0.521360 0.899811 -0.579614
O 0.116866 2.286291 1.178534
O 2.620371 2.556558 0.245473
N -3.067053 -1.125441 0.891410
C -2.833671 0.389301 -1.213189
C -1.943352 0.916624 -0.071477
C -4.300762 0.419312 -0.693562
C -2.448661 -1.073987 -1.565861
C -2.109979 -0.021898 1.174513
C -4.401949 -0.546865 0.546743
C -2.563452 -1.940164 -0.257993
C 0.401391 1.602149 0.160759
C 1.854966 1.468528 -0.366354
C 2.418356 0.088133 0.063805
C 1.943378 1.661391 -1.894552
C 1.810878 -1.121765 -0.361615
C 3.585362 0.030415 0.862192
C 2.361024 -2.367368 0.012657
C 4.133600 -1.217409 1.237385
C 3.524187 -2.420710 0.815777
H -2.725073 1.040068 -2.098377
H -2.178327 1.967387 0.177133
H -4.978088 0.099069 -1.506620
H -4.589034 1.452108 -0.418176
H -1.425753 -1.105223 -1.980168
H -3.133320 -1.445069 -2.351257
H -1.132898 -0.461758 1.444708
H -2.470892 0.552906 2.044394
H -4.782792 -0.014021 1.436635
H -5.090431 -1.386131 0.342782
H -3.254893 -2.789955 -0.399318
H -1.581339 -2.354689 0.032977
H 1.404868 0.862804 -2.428941
H 1.521085 2.639537 -2.180191
H 3.006535 1.638245 -2.186393
H 2.125870 2.840924 1.064821
H 0.906322 -1.091060 -0.978737
H 4.056245 0.969391 1.167200
H 1.882948 -3.295331 -0.321735
H 5.038221 -1.248055 1.855404
H 3.949406 -3.387656 1.107429


