%chk=000114549.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114549

0 1
 O   -4.655200     -0.3240000      0.8566000    
 O   0.9184000     -8.3200000E-02 -0.3195000    
 O   -3.773500      -2.412500      0.5287000    
 O  -0.5888000      0.7416000      -1.859400    
 O   -4.976000       1.935700      0.7418000    
 N   -3.241200      0.8552000     -0.3616000    
 C   -2.750700     -0.4776000     -0.5262000    
 C   -1.333800     -0.6423000     -4.6999999E-03
 C   -3.756400      -1.207300      0.3280000    
 C  -0.3257000      9.4300002E-02 -0.8554000    
 C   -4.347900      0.9323000      0.4389000    
 C    1.988400      0.5591000      -1.020100    
 C    3.279800      0.2711000     -0.3126000    
 C    3.721700       1.127800      0.6896000    
 C    4.022900     -0.8501000     -0.6648000    
 C    4.922000      0.8602000       1.347700    
 C    5.223300      -1.117700     -6.6000000E-03
 C    5.672700     -0.2626000      0.9997000    
 H   -2.869800     -0.7608000      -1.576100    
 H   -1.063300      -1.704600     -5.7000001E-03
 H   -1.255800     -0.2666000       1.023000    
 H   -2.835400       1.662600     -0.8244000    
 H    1.809700       1.641000      -1.057600    
 H    2.030600      0.1883000      -2.052000    
 H    3.143700       2.004000      0.9702000    
 H    3.681100      -1.524100      -1.445500    
 H    5.271700       1.525500       2.131700    
 H    5.807700      -1.992300     -0.2770000    
 H    6.607200     -0.4713000       1.512300    


%chk=000114549-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114549

0 1
O -4.839109 -0.284443 0.775408
O 0.934785 -0.201972 -0.364948
O -3.823925 -2.394600 0.828822
O -0.658298 1.056713 -1.511139
O -5.221800 2.023058 0.317930
N -3.316081 0.851392 -0.501079
C -2.780870 -0.509445 -0.436227
C -1.363253 -0.608531 0.171503
C -3.828567 -1.220611 0.443812
C -0.358217 0.171838 -0.666949
C -4.501438 1.033923 0.170279
C 2.041203 0.548119 -1.090230
C 3.334149 0.255906 -0.377227
C 3.714032 1.016632 0.757872
C 4.187727 -0.780870 -0.830637
C 4.922834 0.740864 1.432829
C 5.399294 -1.057297 -0.159055
C 5.768190 -0.297175 0.974873
H -2.779354 -0.984200 -1.436860
H -1.056857 -1.665792 0.247108
H -1.355296 -0.197835 1.199134
H -2.833216 1.585967 -1.021519
H 1.769986 1.617931 -1.082484
H 2.037800 0.186960 -2.133000
H 3.061542 1.823416 1.113316
H 3.902502 -1.373210 -1.708636
H 5.208168 1.333667 2.308624
H 6.053085 -1.859324 -0.518307
H 6.708384 -0.509380 1.495785


