%chk=000100313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100313

0 1
 O    3.934100      -1.554600      0.5289000    
 O   -2.847700      -1.304200      -1.849400    
 O   -5.345900     -0.7026000     -0.7907000    
 O    2.007400      -3.276200      -1.655300    
 O    1.189300     -0.6697000       2.290600    
 C    2.039400       3.587400      0.3690000    
 C    2.364000       3.168800      -1.067000    
 C   0.7020000       4.327500      0.4361000    
 C    3.703800       2.438400      -1.204500    
 C  -0.4933000       3.482200     -1.9800000E-02
 C    3.830400       1.122400     -0.4288000    
 C  -0.7898000       2.239100      0.8304000    
 C    2.767700      8.6000003E-02 -0.8001000    
 C   -2.002300       1.453200      0.3967000    
 C    2.869500      -1.170100      5.1399998E-02
 C   -1.869100      0.4241000     -0.5355000    
 C   -3.256300       1.755500      0.9273000    
 C    1.628600      -1.954600      0.3121000    
 C   -2.989900     -0.3027000     -0.9370000    
 C   -4.377200       1.028800      0.5257000    
 C   -4.243900     -1.9999999E-04 -0.4065000    
 C    1.254200      -2.977900     -0.5588000    
 C   0.8421000      -1.665600       1.427300    
 C   9.3800001E-02  -3.712100     -0.3145000    
 C  -0.3183000      -2.399900       1.671600    
 C  -0.6926000      -3.423200      0.8008000    
 H    2.017900       2.719900       1.035400    
 H    2.829600       4.250600      0.7406000    
 H    2.399400       4.065900      -1.698300    
 H    1.578500       2.534300      -1.485300    
 H   0.5335000       4.661400       1.467000    
 H   0.7538000       5.232000     -0.1821000    
 H    4.510200       3.109700     -0.8839000    
 H    3.877500       2.235500      -2.268800    
 H   -1.378600       4.132100      1.2700000E-02
 H  -0.3932000       3.200900      -1.073700    
 H    3.794800       1.319500      0.6493000    
 H    4.825900      0.7027000     -0.6219000    
 H  -0.9136000       2.537000       1.879800    
 H   7.5499997E-02   1.567100      0.8215000    
 H    1.765500      0.5008000     -0.6600000    
 H    2.873400     -0.2059000      -1.850500    
 H  -0.8915000      0.1921000     -0.9513000    
 H   -3.372700       2.556300       1.652700    
 H   -5.348300       1.275300      0.9467000    
 H  -0.2044000      -4.509700     -0.9896000    
 H  -0.9416000      -2.184500       2.535400    
 H   -1.597200      -3.993700      0.9900000    
 H   -1.909600      -1.377900      -2.095600    
 H    2.800600      -2.717700      -1.686400    
 H   0.5184000     -0.6086000       2.992000    
 H   -6.123100     -0.3547000     -0.3206000    


%chk=000100313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100313

0 1
O 3.964657 -2.195593 -1.098420
O -4.053843 0.013217 -1.996896
O -5.200729 -1.162245 0.149098
O 2.918355 -4.232882 -0.211985
O 0.319088 -0.079045 -0.397112
C 2.004706 3.743051 0.372222
C 2.731937 3.204584 -0.884815
C 0.671145 4.467795 0.051097
C 3.932310 2.282890 -0.550417
C -0.498596 3.504440 -0.278481
C 3.546219 0.844451 -0.120745
C -1.072259 2.822749 0.983168
C 3.017537 -0.010314 -1.314959
C -2.148424 1.761477 0.753866
C 2.895957 -1.469873 -0.924076
C -2.578798 1.373974 -0.544856
C -2.758905 1.128598 1.866561
C 1.696362 -2.099826 -0.348171
C -3.595881 0.406104 -0.734955
C -3.766976 0.157183 1.687366
C -4.199112 -0.214108 0.393354
C 1.768558 -3.518094 -0.012455
C 0.440430 -1.442866 -0.098684
C 0.653119 -4.206117 0.526817
C -0.662798 -2.136277 0.438560
C -0.546585 -3.513421 0.744575
H 1.814196 2.909860 1.078210
H 2.685918 4.440776 0.899929
H 3.085873 4.069608 -1.481801
H 2.017521 2.657050 -1.530987
H 0.376531 5.108647 0.907525
H 0.837726 5.151131 -0.806102
H 4.524026 2.752764 0.262109
H 4.607665 2.216044 -1.427279
H -1.308093 4.062300 -0.790684
H -0.137903 2.738108 -0.993716
H 2.779406 0.870605 0.676754
H 4.438632 0.340598 0.297967
H -1.491210 3.607571 1.645753
H -0.241028 2.363246 1.554937
H 2.055016 0.389911 -1.664099
H 3.762879 0.032492 -2.130368
H -2.152899 1.863522 -1.429706
H -2.446713 1.399009 2.881479
H -4.228059 -0.316925 2.563879
H 0.763455 -5.268720 0.755962
H -1.605585 -1.606582 0.617923
H -1.411508 -4.043967 1.157358
H -3.566471 0.495329 -2.711169
H 3.617989 -3.557256 -0.621655
H -0.608049 0.242475 -0.208723
H -5.566089 -1.507251 1.001946


