%chk=000005208.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005208

0 1
 O    2.153300      0.5859000       1.944500    
 O   0.2130000       1.953900      0.2584000    
 O   -2.087300       3.029100     -0.2280000    
 O   -1.863900      -2.969200      0.2172000    
 O   -4.248100      -2.046300     -0.2738000    
 C    2.008400     -0.1424000      0.7302000    
 C   0.5478000     -0.3669000      0.4800000    
 C    2.731100      0.5853000     -0.4098000    
 C   -1.735900      0.6382000     -4.6000001E-03
 C  -0.2939000      0.8379000      0.2440000    
 C   -2.285400     -0.6449000     -1.7000001E-02
 C   5.2000000E-03  -1.589800      0.4647000    
 C   -1.432500      -1.822800      0.2187000    
 C    4.217300      0.7266000     -0.2022000    
 C   -2.557600       1.749300     -0.2294000    
 C   -3.653800     -0.8196000     -0.2539000    
 C    5.184300     -0.1516000     -0.5291000    
 C   -3.921600       1.572300     -0.4652000    
 C   -4.468400      0.2906000     -0.4775000    
 C    6.654400      5.0700001E-02 -0.2939000    
 C    4.833600      -1.466300      -1.173500    
 H    2.503500      -1.106700      0.8989000    
 H    2.364900       1.610900     -0.5288000    
 H    2.524700      9.4300002E-02  -1.368400    
 H   0.6126000      -2.473500      0.6351000    
 H    4.522900       1.654000      0.2806000    
 H   -4.565400       2.430400     -0.6397000    
 H   -5.532100      0.1643000     -0.6611000    
 H    1.879200       1.505200       1.784500    
 H    6.857700       1.020600      0.1718000    
 H    7.201100      1.3400000E-02  -1.241600    
 H    7.046700     -0.7275000      0.3685000    
 H    5.270100      -2.290100     -0.5976000    
 H    5.244900      -1.505200      -2.187800    
 H    3.762700      -1.668300      -1.243100    
 H   -1.134300       3.044900     -5.4099999E-02
 H   -3.598500      -2.745200     -0.1052000    


%chk=000005208-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005208

0 1
O 2.109368 1.133036 1.978399
O 0.103945 2.140979 0.341223
O -2.135625 3.067053 -0.372087
O -1.970110 -2.971769 0.476667
O -4.237805 -2.099326 -0.234020
C 1.945938 0.027680 1.025287
C 0.473399 -0.231386 0.731253
C 2.751849 0.279885 -0.291895
C -1.780033 0.689480 0.031120
C -0.384458 0.920608 0.364922
C -2.323058 -0.631370 0.063402
C -0.076010 -1.497660 0.770020
C -1.478612 -1.761534 0.440162
C 4.235940 0.369185 -0.013680
C -2.617454 1.790580 -0.330637
C -3.692919 -0.848032 -0.262793
C 5.246713 -0.301296 -0.640675
C -3.994799 1.557929 -0.659226
C -4.521009 0.267913 -0.627048
C 6.692973 -0.081683 -0.223913
C 5.063506 -1.286747 -1.781990
H 2.375169 -0.848234 1.541453
H 2.380542 1.228813 -0.731274
H 2.522228 -0.523503 -1.015908
H 0.530928 -2.366696 1.049233
H 4.496989 1.059105 0.801945
H -4.611719 2.418313 -0.932911
H -5.568668 0.074004 -0.874039
H 1.676089 1.931314 1.563731
H 6.775841 0.643045 0.603993
H 7.298939 0.293341 -1.072875
H 7.160610 -1.032384 0.101994
H 5.517496 -2.265050 -1.527318
H 5.583284 -0.927214 -2.692398
H 4.007694 -1.460959 -2.046377
H -1.127419 3.018179 -0.098935
H -3.469042 -2.754102 0.056996


