%chk=000125673.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125673

0 1
 O    4.076300      0.2882000      0.9781000    
 O    1.110000      0.1514000     -0.8090000    
 O   -1.865600      -2.474000      5.4200001E-02
 O   0.2046000      -2.096200     -0.5855000    
 N  -0.9242000      -1.695800     -0.2207000    
 C    3.442100      7.4600004E-02 -0.2747000    
 C    3.411100     -0.9666000      0.7833000    
 C    2.232700      0.9633000     -0.4726000    
 C  -0.1166000      0.5978000     -0.4145000    
 C   -1.147200     -0.2929000     -0.1145000    
 C   -2.392000      0.1909000      0.2881000    
 C  -0.3308000       1.972300     -0.3119000    
 C   -2.606100       1.565400      0.3907000    
 C   -1.575500       2.456100      9.0800002E-02
 C   -3.518800     -0.7345000      0.6183000    
 H    4.041300     -8.2999997E-02  -1.158600    
 H    2.496500      -1.135900       1.336400    
 H    4.031000      -1.844600      0.6560000    
 H    2.433400       1.662700      -1.291800    
 H    2.066500       1.529500      0.4535000    
 H   0.4295000       2.704200     -0.5677000    
 H   -3.569300       1.961700      0.7010000    
 H   -1.745000       3.526500      0.1634000    
 H   -3.844000      -1.316300     -0.2507000    
 H   -3.297600      -1.360800       1.489000    
 H   -4.406100     -0.1577000      0.9118000    


%chk=000125673-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125673

0 1
O 4.755816 0.452021 -0.202484
O 1.045333 -0.057011 -0.212264
O -1.751505 -2.388701 -0.928188
O -0.348730 -2.291125 0.867535
N -1.119069 -1.741114 -0.005031
C 3.411825 -0.157396 -0.520326
C 4.199072 -0.681749 0.636385
C 2.252241 0.788240 -0.300721
C -0.179825 0.571651 -0.011208
C -1.322026 -0.274861 0.065597
C -2.637634 0.231004 0.215110
C -0.360525 1.971817 0.081947
C -2.783007 1.637431 0.316141
C -1.661645 2.490784 0.250401
C -3.850019 -0.677574 0.280129
H 3.384287 -0.739933 -1.449028
H 3.906977 -0.399332 1.655084
H 4.731417 -1.633672 0.533248
H 2.155982 1.495813 -1.148609
H 2.395093 1.359651 0.637209
H 0.493669 2.651191 0.023972
H -3.784738 2.057947 0.449772
H -1.798905 3.574519 0.328080
H -4.047241 -1.140078 -0.702892
H -3.709506 -1.507353 0.996261
H -4.741136 -0.105868 0.586279


