%chk=000049296.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049296

0 1
 O   0.5641000     -0.2115000      -2.435600    
 O  -0.2872000      0.2254000       2.161600    
 O    3.417000       2.159400      0.2654000    
 N    2.039500      0.8893000      -1.066800    
 N    1.614700       1.107100       1.229800    
 C   0.3410000     -0.5572000     -4.5899998E-02
 C    1.084700      -1.878900      0.2172000    
 C   -1.145600     -0.8521000     -0.2932000    
 C   0.9540000      5.8200002E-02  -1.299900    
 C   0.4895000      0.2965000       1.209500    
 C   0.5515000      -2.542300       1.481400    
 C   0.9507000      -2.808400     -0.9830000    
 C   -1.906700      0.4161000     -0.5100000    
 C    2.435800       1.422500      0.1539000    
 C   -3.185200      0.6745000     -0.1754000    
 C   -3.897400       1.974400     -0.4206000    
 C   -4.020400     -0.3729000      0.5117000    
 H    2.155100      -1.684200      0.3700000    
 H   -1.302500      -1.455000      -1.193600    
 H   -1.584900      -1.390200      0.5475000    
 H  -0.4988000      -2.837000       1.426800    
 H    1.104800      -3.476200       1.647800    
 H   0.7169000      -1.953200       2.386400    
 H  -7.5999998E-02  -3.124000      -1.184600    
 H    1.505900      -3.733200     -0.7783000    
 H    1.392400      -2.407100      -1.897800    
 H   -1.383100       1.217800      -1.028600    
 H    2.553300       1.205300      -1.884700    
 H    1.815300       1.583500       2.104600    
 H   -4.757300       1.821400      -1.080500    
 H   -4.251000       2.399100      0.5244000    
 H   -3.240200       2.711800     -0.8931000    
 H   -3.670600      -1.395700      0.3513000    
 H   -5.046300     -0.3466000      0.1263000    
 H   -4.059000     -0.1773000       1.588100    


%chk=000049296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049296

0 1
O 0.585278 -0.112260 -2.442113
O -0.504231 -0.083320 2.228925
O 3.090359 2.351215 0.587408
N 1.893346 0.993323 -0.895607
N 1.327785 1.040747 1.393174
C 0.209071 -0.668615 -0.064289
C 1.105056 -1.995226 0.176783
C -1.274827 -1.010182 -0.408111
C 0.863032 0.088677 -1.232606
C 0.270066 0.116516 1.257921
C 0.471645 -2.934920 1.231273
C 1.388651 -2.779026 -1.127242
C -2.099267 0.194269 -0.826581
C 2.178288 1.513441 0.378863
C -3.154916 0.749544 -0.161807
C -3.899697 1.933056 -0.761530
C -3.697449 0.269553 1.172949
H 2.078316 -1.637286 0.574987
H -1.262466 -1.740539 -1.238145
H -1.716813 -1.503054 0.471337
H -0.422961 -3.440827 0.826606
H 1.203325 -3.719002 1.498392
H 0.180008 -2.405942 2.153588
H 0.454534 -3.105543 -1.616974
H 1.970192 -3.684931 -0.876034
H 1.967026 -2.197694 -1.863902
H -1.818626 0.628414 -1.796811
H 2.421137 1.405838 -1.671927
H 1.447930 1.477054 2.313136
H -4.975617 1.699307 -0.888698
H -3.846096 2.814862 -0.092420
H -3.492402 2.220464 -1.746237
H -3.033120 -0.448327 1.677645
H -4.694312 -0.197501 1.041067
H -3.838243 1.127216 1.859076


