%chk=000095227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095227

0 1
 O   0.7512000       1.361300     -0.2187000    
 O    1.715100      0.5530000       1.714600    
 C   -3.155000     -0.2733000     -0.4710000    
 C   -4.579400     -0.6852000     -0.1040000    
 C   -2.137400     -0.9642000      0.4474000    
 C   -2.999900       1.252800     -0.4114000    
 C  -0.7097000     -0.5258000      0.1353000    
 C   -1.569700       1.684800     -0.7214000    
 C  -0.5610000      0.9931000      0.1919000    
 C   -4.722400      -2.212800     -0.2117000    
 C   -4.891700     -0.2484000       1.337300    
 C   -5.577600     -1.5200000E-02  -1.063000    
 C    1.769400      0.8372000      0.5259000    
 C    2.973800      0.6300000     -0.3656000    
 C    4.145300     -4.1400000E-02  0.3510000    
 C    5.358500     -0.2347000     -0.5639000    
 C    6.499600     -0.9379000      0.1712000    
 C    7.690800      -1.173300     -0.7439000    
 H   -2.943300     -0.5905000      -1.502500    
 H   -2.314100     -0.7381000       1.502900    
 H   -2.173100      -2.052300      0.3351000    
 H   -3.651500       1.749700      -1.136700    
 H   -3.244200       1.653900      0.5763000    
 H  -0.4197000     -0.8874000     -0.8604000    
 H  -3.2299999E-02  -1.024400      0.8370000    
 H   -1.474000       2.773000     -0.6214000    
 H   -1.332100       1.463300      -1.770300    
 H  -0.7232000       1.348400       1.218400    
 H   -4.184200      -2.744600      0.5792000    
 H   -5.773500      -2.511000     -0.1171000    
 H   -4.366600      -2.580000      -1.180800    
 H   -4.864800      0.8338000       1.485900    
 H   -4.258500     -0.7245000       2.089700    
 H   -5.917500     -0.5496000       1.590000    
 H   -5.299900     -0.1826000      -2.109700    
 H   -6.584400     -0.4271000     -0.9240000    
 H   -5.665500       1.063000     -0.8961000    
 H    2.664700      8.0000004E-03  -1.213600    
 H    3.286900       1.610400     -0.7418000    
 H    3.820600      -1.014100      0.7417000    
 H    4.435700      0.5617000       1.220500    
 H    5.064300     -0.8270000      -1.438900    
 H    5.700400      0.7399000     -0.9326000    
 H    6.153400      -1.901800      0.5623000    
 H    6.816900     -0.3345000       1.029600    
 H    8.495200      -1.675400     -0.1975000    
 H    8.081600     -0.2265000      -1.130000    
 H    7.413400      -1.803400      -1.595000    


%chk=000095227-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095227

0 1
O 0.839861 0.278976 -0.665231
O 1.805081 -0.220448 1.402705
C -3.455007 -0.317492 -0.368258
C -4.976977 -0.390643 0.041378
C -2.524394 -1.216236 0.494064
C -2.878853 1.126093 -0.397041
C -1.060856 -1.193412 -0.015723
C -1.415390 1.158177 -0.906153
C -0.530547 0.248412 -0.048020
C -5.481648 -1.856790 -0.084612
C -5.221232 0.099482 1.495222
C -5.824450 0.483029 -0.927586
C 1.925465 0.027969 0.179697
C 3.230288 0.120368 -0.597114
C 4.466596 -0.254486 0.242464
C 5.784231 -0.081393 -0.543939
C 7.033456 -0.460246 0.284058
C 8.352729 -0.273717 -0.495741
H -3.404246 -0.706037 -1.412368
H -2.545188 -0.870311 1.547563
H -2.880766 -2.262165 0.494388
H -3.491508 1.776692 -1.046582
H -2.916187 1.562522 0.622026
H -1.014479 -1.611491 -1.041148
H -0.417817 -1.815349 0.633114
H -1.021231 2.191429 -0.888938
H -1.373835 0.807925 -1.956320
H -0.439802 0.635017 0.986165
H -5.007884 -2.525399 0.656052
H -6.574500 -1.901711 0.082108
H -5.275591 -2.262771 -1.093859
H -4.903569 1.149154 1.633218
H -4.683444 -0.521771 2.234279
H -6.299452 0.044766 1.737603
H -5.618702 0.222992 -1.983955
H -6.903219 0.321366 -0.743159
H -5.626292 1.561789 -0.795348
H 3.145158 -0.523036 -1.494141
H 3.320563 1.155561 -0.983558
H 4.371811 -1.301543 0.590063
H 4.488826 0.368117 1.157190
H 5.755967 -0.702295 -1.464286
H 5.878908 0.971978 -0.882833
H 6.943590 -1.514506 0.616388
H 7.057359 0.154467 1.206856
H 9.228922 -0.552143 0.118246
H 8.481786 0.779173 -0.810649
H 8.367069 -0.899763 -1.408086


