%chk=000122313.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122313

0 1
 O   -1.162500      0.7238000      -1.387000    
 O   -4.946700       2.297500     -0.8925000    
 O  -0.2331000      -1.502400       1.786100    
 O   -1.743100      -3.021500      -1.094400    
 O   -1.958900      -5.118800     -0.2562000    
 N   -2.650500       2.714200     -0.7024000    
 N   0.2112000      0.8721000      0.4873000    
 N    3.474600       1.011700      -1.204700    
 N   0.6231000      -2.597500     -7.2300002E-02
 N    5.470500       1.255400     -0.1165000    
 C   -1.595800       2.423400      0.2270000    
 C   -2.329000       2.087800       1.511900    
 C    1.079100     -0.2376000      0.1874000    
 C   -3.684000       1.556100       1.045700    
 C    2.477000     -4.9300000E-02  0.7812000    
 C  -0.8404000       1.259400     -0.3297000    
 C   -3.887400       2.231800     -0.2883000    
 C    3.183800       1.182800      0.2332000    
 C   0.4261000      -1.495900      0.7483000    
 C    4.562500       1.323800      0.7901000    
 C    4.769200       1.070900      -1.279800    
 C   6.0600001E-02  -3.896600      0.2150000    
 C   -1.306200      -4.090900     -0.3893000    
 H  -0.9363000       3.290800      0.3233000    
 H   -2.490900       3.007900       2.088200    
 H   -1.818500       1.375800       2.166600    
 H    1.143300     -0.3283000     -0.9039000    
 H   -4.484200       1.815900       1.742900    
 H   -3.656200      0.4730000      0.8910000    
 H    2.409200      3.1900000E-02   1.874600    
 H    3.078400     -0.9480000      0.5871000    
 H   -2.507200       3.186600      -1.589700    
 H   0.3548000       1.360500       1.366800    
 H    2.627200       2.107200      0.4156000    
 H    4.743000       1.478800       1.862300    
 H    1.171100      -2.498600     -0.9217000    
 H    5.303700      0.9765000      -2.236700    
 H   0.7385000      -4.643500     -0.2073000    
 H  -1.5799999E-02  -4.025500       1.298800    
 H   -2.633600      -3.172600      -1.477100    


%chk=000122313-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122313

0 1
O -0.857011 0.341076 -1.289762
O -4.351733 2.745986 -1.806619
O 1.605339 -2.443331 1.418965
O -2.324886 -2.386274 1.115879
O -2.658607 -4.603246 0.514723
N -2.332130 2.723675 -0.588021
N 0.480224 0.672090 0.581896
N 3.725284 1.272066 -1.179652
N 0.039271 -2.214150 -0.301091
N 5.742550 1.833389 -0.075656
C -1.640217 1.937745 0.429814
C -2.824751 1.171376 1.129282
C 1.512878 -0.304705 0.160587
C -3.921576 1.096896 0.040692
C 2.867023 0.010980 0.818012
C -0.639560 0.931087 -0.182566
C -3.615253 2.270424 -0.906875
C 3.465455 1.340644 0.295535
C 1.064966 -1.755267 0.500017
C 4.827202 1.702484 0.872117
C 5.005552 1.557249 -1.305690
C -0.534228 -3.537010 -0.105091
C -1.929306 -3.590543 0.514602
H -1.111224 2.591262 1.151055
H -3.172405 1.769631 1.989251
H -2.505365 0.180847 1.491733
H 1.605084 -0.204186 -0.936918
H -4.946761 1.183652 0.433684
H -3.854615 0.165154 -0.549150
H 2.758643 0.045442 1.918631
H 3.562743 -0.816911 0.602057
H -1.857225 3.400242 -1.187271
H 0.549965 1.069466 1.522677
H 2.739941 2.164565 0.467633
H 5.068288 1.843833 1.929348
H -0.377055 -1.550194 -0.974476
H 5.530553 1.589225 -2.261128
H -0.587213 -4.098491 -1.055015
H 0.143831 -4.094585 0.570551
H -3.227073 -2.522992 1.517140


