%chk=000094334.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094334

0 1
 O   -4.056400     -0.3396000      0.4437000    
 C   0.3301000       1.110900      0.1325000    
 C    2.012500     -0.9758000     -4.1299999E-02
 C   0.5620000     -0.4213000      0.1300000    
 C    1.462500       1.907300     -0.5894000    
 C  -0.9572000       1.556900     -0.6354000    
 C    2.968100     -1.4700000E-02 -0.7845000    
 C    2.865700       1.416800     -0.3045000    
 C   -2.326200       1.218800     -5.9500001E-02
 C   -2.727500     -0.2555000     -0.1018000    
 C   0.2725000       1.607800       1.596600    
 C  -0.4161000      -1.311400      0.4218000    
 C   -1.847200      -1.106200      0.8103000    
 C    2.596500      -1.274300       1.361100    
 C    2.056500      -2.300300     -0.8540000    
 C   -2.795700     -0.8194000      -1.525400    
 H    1.402100       2.971400     -0.3239000    
 H    1.308800       1.865800      -1.677500    
 H  -0.9034000       1.196700      -1.671000    
 H  -0.9364000       2.654200     -0.7170000    
 H    2.755100     -3.9600000E-02  -1.862600    
 H    4.007400     -0.3516000     -0.6766000    
 H    3.584800       2.036000     -0.8535000    
 H    3.117800       1.509000      0.7560000    
 H   -2.412900       1.605200      0.9639000    
 H   -3.078500       1.790300     -0.6221000    
 H    1.223500       1.456700       2.116700    
 H   4.7699999E-02   2.680100       1.638800    
 H  -0.4942000       1.093800       2.183400    
 H  -0.1484000      -2.363700      0.4844000    
 H   -2.308900      -2.102400      0.8850000    
 H   -1.885500     -0.7327000       1.842100    
 H    2.632900     -0.3817000       1.992500    
 H    3.618000      -1.665700       1.287500    
 H    2.001500      -2.025600       1.893500    
 H    3.089700      -2.578500      -1.096000    
 H    1.511600      -2.200600      -1.800100    
 H    1.635200      -3.149000     -0.3052000    
 H   -3.474100     -0.2206000      -2.143900    
 H   -1.820400     -0.8524000      -2.018700    
 H   -3.206700      -1.835800      -1.517300    
 H   -4.035500      1.2500000E-02   1.350000    


%chk=000094334-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094334

0 1
O -4.153442 -0.364798 0.416496
C 0.346983 1.132548 0.138671
C 2.043649 -0.986660 -0.056574
C 0.594982 -0.407596 0.119310
C 1.483992 1.945349 -0.568504
C -0.947107 1.554088 -0.644558
C 3.002658 -0.012393 -0.803287
C 2.906869 1.434776 -0.300347
C -2.343743 1.226756 -0.077563
C -2.754617 -0.261671 -0.099689
C 0.262188 1.615570 1.621603
C -0.390795 -1.309490 0.410955
C -1.842207 -1.111541 0.823870
C 2.631333 -1.278696 1.362762
C 2.054615 -2.319506 -0.862190
C -2.848012 -0.844592 -1.516665
H 1.380113 3.006785 -0.266038
H 1.315353 1.912799 -1.665541
H -0.868981 1.150929 -1.673316
H -0.893933 2.658332 -0.746362
H 2.761897 -0.023031 -1.887086
H 4.035741 -0.400723 -0.703406
H 3.639984 2.073180 -0.830444
H 3.158072 1.496118 0.776546
H -2.419979 1.595762 0.967905
H -3.099909 1.788209 -0.661159
H 1.242275 1.527196 2.123788
H -0.043383 2.679369 1.661379
H -0.463014 1.027561 2.209582
H -0.097516 -2.367236 0.412961
H -2.320786 -2.104145 0.915054
H -1.884491 -0.657561 1.840299
H 2.701327 -0.365777 1.980868
H 3.647852 -1.709344 1.275402
H 1.991633 -1.998961 1.902973
H 3.100358 -2.609021 -1.080910
H 1.519618 -2.207365 -1.822548
H 1.596545 -3.158626 -0.309936
H -3.488819 -0.208203 -2.151716
H -1.850445 -0.930289 -1.977991
H -3.300533 -1.850482 -1.471219
H -4.175025 0.034182 1.325225


