%chk=000147387.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147387

0 1
 O  -0.4802000      -1.407700     -3.7500001E-02
 O  -0.5515000       3.427900      0.4674000    
 O    3.539500       1.056000      0.6263000    
 O   -4.896900      0.6133000     -0.2661000    
 O   -2.720000       2.013600      0.1049000    
 O    3.234500      -3.278100      0.9839000    
 O    3.727900       1.298200      -1.694500    
 C  -0.5879000       1.019600      0.2095000    
 C   0.1140000     -0.1843000      0.1516000    
 C    1.503300     -0.1816000      0.2912000    
 C   -2.668000     -0.3276000     -0.1434000    
 C   -2.051000      0.9921000      6.0100000E-02
 C   -1.845200      -1.453100     -0.1804000    
 C   8.8100001E-02   2.226700      0.4054000    
 C    2.182700       1.021400      0.4868000    
 C    2.247600      -1.415400      0.2327000    
 C    1.476100       2.223200      0.5434000    
 C   -4.051000     -0.4539000     -0.2966000    
 C   -2.409800      -2.715700     -0.3724000    
 C   -4.609100      -1.718000     -0.4881000    
 C   -3.790400      -2.846900     -0.5260000    
 C    2.822600      -2.076200     -0.8703000    
 C    2.520300      -2.177600       1.337700    
 C    3.414200      -3.208900     -0.3613000    
 C  -0.7286000       4.132300     -0.7601000    
 C    4.233900       1.204700     -0.5840000    
 C   -5.426300      0.9846000       1.005200    
 C    5.711100       1.231300     -0.3253000    
 H    2.009500       3.158500      0.6973000    
 H   -1.780800      -3.601500     -0.4035000    
 H   -5.683100      -1.833100     -0.6095000    
 H   -4.228300      -3.829600     -0.6754000    
 H    2.813400      -1.775000      -1.908200    
 H    2.294900      -2.089600       2.391100    
 H    3.971800      -4.023100     -0.8009000    
 H   0.2269000       4.553000      -1.088500    
 H   -1.430400       4.952400     -0.5867000    
 H   -1.134400       3.482100      -1.541900    
 H   -4.640700       1.048700       1.765000    
 H   -6.184800      0.2602000       1.318000    
 H   -5.899500       1.965400      0.9063000    
 H    5.956800       2.074300      0.3251000    
 H    6.243200       1.353900      -1.272800    
 H    6.022000      0.2883000      0.1310000    


%chk=000147387-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147387

0 1
O -0.544813 -1.409464 -0.002218
O -0.204609 3.539788 -0.231547
O 3.690171 0.812679 0.331097
O -5.027391 0.708936 -0.023857
O -2.604482 2.081912 0.733012
O 2.732527 -3.862615 0.372588
O 4.330481 2.367264 -1.320374
C -0.545477 1.047433 0.009168
C 0.160697 -0.196779 0.018175
C 1.575568 -0.330053 0.063706
C -2.715220 -0.240107 0.053179
C -2.007916 1.047522 0.283554
C -1.943240 -1.423856 -0.119455
C 0.255135 2.241219 -0.073196
C 2.287362 0.901167 0.110042
C 2.256633 -1.640004 0.050106
C 1.660078 2.152614 0.020833
C -4.143555 -0.378610 -0.061667
C -2.505759 -2.690210 -0.375096
C -4.715175 -1.638187 -0.343323
C -3.903692 -2.786672 -0.493695
C 3.535266 -1.953365 -0.581840
C 1.811754 -2.833357 0.610085
C 3.784664 -3.292762 -0.372551
C -1.390298 3.844085 -1.057931
C 4.631245 1.617042 -0.375892
C -5.382189 1.246200 1.311024
C 6.001721 1.386848 0.214713
H 2.236931 3.077313 -0.017550
H -1.847326 -3.554829 -0.491173
H -5.802283 -1.692932 -0.451208
H -4.365962 -3.756330 -0.705152
H 4.162540 -1.266238 -1.143062
H 0.928343 -3.112974 1.172626
H 4.583164 -3.972223 -0.654289
H -1.510143 3.094458 -1.861911
H -1.179773 4.835339 -1.488961
H -2.290659 3.857731 -0.426427
H -4.492709 1.685590 1.790511
H -5.825411 0.445171 1.934226
H -6.132029 2.026168 1.110792
H 6.062758 1.874588 1.204415
H 6.768569 1.814865 -0.446739
H 6.180904 0.310433 0.371760


