%chk=000044076.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044076

0 1
 O   -2.788300      -3.083400      -1.304600    
 O   -3.754300       2.850500      0.2637000    
 O    5.405300     -0.8845000       1.200300    
 O    1.191200       3.205400     -0.5556000    
 O   -3.459700      -2.375800      0.7475000    
 O   -3.497000       1.118400       1.711500    
 O    4.475200     -0.7461000     -0.8681000    
 O    1.606600       1.443200      -1.928400    
 N   -1.784600     -0.1069000     -5.9099998E-02
 N    2.030800     -0.1754000      0.2526000    
 C  -0.4356000     -0.5392000     -0.4329000    
 C   0.6484000     -0.5912000      0.6035000    
 C   8.4600002E-02  -1.863800      4.2900000E-02
 C   -2.819400     -0.7325000     -0.8957000    
 C   -1.931500       1.355200     -0.1060000    
 C    3.023700     -0.8944000       1.050600    
 C    2.207700       1.269000      0.3994000    
 C   -3.072600      -2.124600     -0.3868000    
 C   -3.117800       1.746600      0.7312000    
 C    4.351000     -0.8200000      0.3478000    
 C    1.636400       1.949400     -0.8138000    
 H  -0.1598000     -0.2890000      -1.453200    
 H   0.3657000     -0.3650000       1.629600    
 H  -0.5098000      -2.469100      0.7163000    
 H   0.6884000      -2.441400     -0.6474000    
 H   -3.787300     -0.2192000     -0.8427000    
 H   -2.532400     -0.7514000      -1.954200    
 H   -1.067700       1.851000      0.3489000    
 H   -2.039100       1.716600      -1.135100    
 H    3.099100     -0.4827000       2.064000    
 H    2.777400      -1.959700       1.130300    
 H    1.719800       1.642100       1.307800    
 H    3.262500       1.565800      0.4366000    
 H   -2.939200      -3.985500     -0.9498000    
 H   -4.536000       3.080800      0.8099000    
 H    6.262700     -0.8528000      0.7247000    
 H   0.8356000       3.639800      -1.360100    


%chk=000044076-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044076

0 1
O -4.496084 -2.587766 -0.520364
O -3.460637 2.773680 0.569328
O 5.316991 -1.662778 0.898142
O 1.430751 3.599235 -0.269530
O -2.730626 -2.608797 0.987472
O -4.057468 0.551425 0.896979
O 4.956325 0.334010 -0.229320
O 1.354259 1.903777 -1.853458
N -1.639216 -0.279020 -0.469167
N 2.077675 0.010001 0.305233
C -0.238173 -0.563804 -0.700489
C 0.726829 -0.497128 0.501420
C 0.349508 -1.849847 -0.111180
C -2.620668 -1.185964 -1.065143
C -1.992250 1.132632 -0.374403
C 3.097631 -0.776856 1.015388
C 2.204139 1.464384 0.465173
C -3.241089 -2.164252 -0.059318
C -3.262367 1.390759 0.428767
C 4.509186 -0.601381 0.466979
C 1.618936 2.268495 -0.691950
H 0.209634 -0.227215 -1.648395
H 0.239273 -0.274063 1.468855
H -0.320790 -2.482461 0.476912
H 1.104930 -2.361556 -0.715477
H -3.450915 -0.638796 -1.546531
H -2.150157 -1.803957 -1.857784
H -1.172097 1.676163 0.129452
H -2.126746 1.641645 -1.361935
H 3.154902 -0.558929 2.113213
H 2.836141 -1.844758 0.936396
H 1.742873 1.849241 1.405434
H 3.276306 1.733895 0.492303
H -4.880033 -3.239472 0.126642
H -4.298094 2.935882 1.082514
H 6.248734 -1.521700 0.576042
H 1.122391 4.145475 -1.042599


