%chk=000029546.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029546

0 1
 O    3.310100     -0.7891000      0.3294000    
 O   -2.954500      -1.723400      5.4400001E-02
 O   -1.095800      -1.562500       1.969500    
 C   -4.281900      0.4413000      -1.308000    
 C   -4.407100       1.225600      2.0000001E-03
 C   -2.839100      2.5500000E-02  -1.604900    
 C   -5.852400       1.655800      0.2535000    
 C   -2.258000     -0.9242000     -0.5668000    
 C  -0.7892000     -0.8931000     -0.3136000    
 C    5.288900      0.5672000      0.3576000    
 C   -5.976500       2.473400       1.529300    
 C    4.064600      0.1446000     -0.4418000    
 C    6.136800       1.581700     -0.4042000    
 C  -0.2719000      -1.213100      0.9416000    
 C    1.965900     -0.8234000      0.1186000    
 C   7.1000002E-02 -0.5383000      -1.352800    
 C    1.105600      -1.178300       1.157800    
 C    1.448500     -0.5035000      -1.136500    
 C    7.335000       2.033700      0.4152000    
 H   -4.921800     -0.4484000      -1.263700    
 H   -4.647100       1.057100      -2.138900    
 H   -4.061000      0.6189000      0.8464000    
 H   -3.763000       2.112300     -4.2300001E-02
 H   -2.800500     -0.4801000      -2.576400    
 H   -2.225500      0.9315000      -1.663100    
 H   -6.496200      0.7716000      0.3271000    
 H   -6.216100       2.253000     -0.5907000    
 H    4.965900      0.9881000       1.318200    
 H    5.886700     -0.3189000      0.6051000    
 H   -5.649400       1.895000       2.399200    
 H   -5.369700       3.382800       1.473100    
 H   -7.017900       2.769400       1.690000    
 H    3.480200       1.046700     -0.6655000    
 H    4.372800     -0.3329000      -1.379100    
 H    5.529800       2.457500     -0.6618000    
 H    6.487600       1.142000      -1.345000    
 H  -0.2996000     -0.3068000      -2.347400    
 H    1.509600      -1.427400       2.135800    
 H    2.084900     -0.2530000      -1.980100    
 H    7.981100       1.186200      0.6653000    
 H    7.929100       2.758600     -0.1501000    
 H    7.015800       2.509700       1.347700    
 H   -2.025600      -1.456900       1.713000    


%chk=000029546-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029546

0 1
O 3.443115 -0.173297 0.650314
O -2.886950 -1.166851 0.669317
O -0.828298 -1.795005 1.983208
C -4.453928 0.228924 -1.207137
C -5.005002 1.187158 -0.126644
C -2.914723 0.249097 -1.316987
C -6.548085 1.173074 -0.045824
C -2.198258 -0.447152 -0.160297
C -0.745556 -0.339048 0.002540
C 5.755004 0.438006 0.284300
C -7.102380 2.140198 1.022440
C 4.328974 0.609271 -0.240810
C 6.781086 1.230663 -0.559287
C -0.100183 -1.037748 1.098301
C 2.074997 -0.189822 0.385082
C 0.080144 0.420531 -0.876346
C 1.295735 -0.954065 1.276751
C 1.466744 0.506736 -0.706723
C 8.225278 1.052614 -0.044001
H -4.786992 -0.801258 -0.980624
H -4.881961 0.504421 -2.192051
H -4.586064 0.904379 0.858383
H -4.660665 2.221950 -0.339240
H -2.591435 -0.253608 -2.252936
H -2.555705 1.294581 -1.394589
H -6.888416 0.141287 0.175883
H -6.969920 1.434649 -1.038434
H 5.792927 0.774297 1.338005
H 6.013712 -0.638020 0.280338
H -6.722152 1.877994 2.027647
H -6.797424 3.182730 0.810599
H -8.207002 2.112160 1.061032
H 4.021873 1.675374 -0.221366
H 4.237566 0.227917 -1.278774
H 6.515771 2.307647 -0.549727
H 6.724367 0.902794 -1.617523
H -0.379761 0.953855 -1.714581
H 1.768353 -1.484124 2.106568
H 2.064247 1.100459 -1.402624
H 8.527820 -0.010783 -0.072873
H 8.944389 1.626092 -0.656473
H 8.318694 1.399673 1.001974
H -1.819836 -1.731847 1.680289


