%chk=000018721.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018721

0 1
 O   0.1367000      0.6571000     -0.5041000    
 O   -3.820600      -2.141200     -0.4507000    
 O   -4.195400       2.585100     -0.7304000    
 O   -1.388100      -3.117000     -0.3308000    
 O    6.457000      0.7596000     -0.3610000    
 O   -3.867200      -1.973600       1.883800    
 O   -4.235900       2.684300       1.608000    
 O    6.628800     -0.2860000       1.726400    
 C   -1.809300     -0.7960000     -0.4716000    
 C   -1.221600      0.4665000     -0.5288000    
 C   0.9583000     -0.4560000     -0.4104000    
 C   -3.199200     -0.9303000     -0.5012000    
 C  -0.9408000      -1.979600     -0.3813000    
 C    2.400300     -0.1380000     -0.3974000    
 C   0.5132000      -1.721400     -0.3555000    
 C   -2.022800       1.605200     -0.6166000    
 C   -3.411600       1.475300     -0.6462000    
 C   -3.998300      0.2104000     -0.5885000    
 C    3.322900      -1.036800     -0.9381000    
 C    2.847900       1.064400      0.1558000    
 C    4.684800     -0.7354000     -0.9256000    
 C    4.209900       1.365900      0.1683000    
 C    5.128400      0.4660000     -0.3726000    
 C   -4.118800      -2.578500      0.8500000    
 C   -4.559900       3.125900      0.5136000    
 C   -4.798300      -3.914700      0.7988000    
 C   -5.418600       4.339400      0.3143000    
 C    7.133400      0.3146000      0.7870000    
 C    8.584600      0.6848000      0.7044000    
 H    1.157000      -2.588900     -0.2698000    
 H   -1.567600       2.591400     -0.6621000    
 H   -5.081400      0.1154000     -0.6138000    
 H    3.016200      -1.972500      -1.397700    
 H    2.155200       1.780300      0.5917000    
 H    5.394800      -1.438100      -1.353100    
 H    4.548900       2.302800      0.6020000    
 H   -4.133900      -4.648900      0.3366000    
 H   -5.029500      -4.243400       1.815900    
 H   -5.732200      -3.832400      0.2375000    
 H   -4.863500       5.096300     -0.2452000    
 H   -5.691200       4.755000       1.288500    
 H   -6.332900       4.061400     -0.2156000    
 H    8.685500       1.771600      0.6510000    
 H    9.101600      0.3288000       1.600000    
 H    9.036700      0.2121000     -0.1710000    


%chk=000018721-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018721

0 1
O -0.023797 0.511455 -0.007103
O -4.187675 -2.113706 -0.416858
O -4.422692 2.618522 -0.043643
O -1.638239 -3.310614 -0.447349
O 6.311408 0.930375 0.194384
O -3.685043 -2.900958 1.739054
O -2.845273 4.366690 0.116434
O 7.500166 -1.108789 0.180809
C -2.034055 -0.913328 -0.183710
C -1.421234 0.365094 -0.069078
C 0.807222 -0.616884 -0.092378
C -3.463062 -0.916324 -0.237430
C -1.177536 -2.126347 -0.299239
C 2.236692 -0.261431 -0.012868
C 0.261178 -1.872646 -0.242184
C -2.130191 1.582910 -0.012750
C -3.533814 1.510995 -0.083821
C -4.204596 0.269179 -0.192593
C 3.242659 -1.264597 0.008992
C 2.639585 1.103001 0.041586
C 4.610893 -0.939875 0.076152
C 3.999610 1.444591 0.108862
C 4.981346 0.427181 0.124349
C -4.088512 -3.142929 0.592906
C -4.027247 3.980101 0.059754
C -4.595191 -4.438083 0.024591
C -5.267713 4.840377 0.088181
C 7.488096 0.136000 0.219825
C 8.686268 1.052220 0.304001
H 0.906366 -2.749101 -0.325892
H -1.594971 2.526666 0.077012
H -5.295255 0.236147 -0.234326
H 2.967407 -2.323354 -0.019800
H 1.879709 1.887769 0.029399
H 5.369124 -1.722364 0.093198
H 4.320470 2.489383 0.149662
H -3.788700 -4.855390 -0.603711
H -4.830815 -5.142031 0.835924
H -5.476702 -4.271261 -0.615190
H -5.874867 4.663261 -0.816122
H -4.979883 5.899567 0.145492
H -5.892625 4.574859 0.958550
H 8.643174 1.647158 1.232981
H 9.608513 0.454423 0.288468
H 8.683298 1.762987 -0.540019


