%chk=000139550.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139550

0 1
 O   0.5831000     -0.1697000      -2.511300    
 C    1.879800      3.8999999E-03  8.0200002E-02
 C   0.4208000     -1.2500000E-02 -0.1289000    
 C   -1.936800      3.9600000E-02  0.5460000    
 C  -0.5093000      6.1400000E-02  0.8244000    
 C    2.550900      -1.192900      0.2700000    
 C    2.550600       1.215900      8.3099999E-02
 C   -2.628400       1.235800      0.3545000    
 C   -2.614200      -1.177400      0.4706000    
 C    3.931700      -1.177200      0.4680000    
 C    3.931300       1.231500      0.2808000    
 C   -3.997400       1.214800      8.7600000E-02
 C   -3.983100      -1.198400      0.2034000    
 C    4.621900      3.4899998E-02  0.4732000    
 C   -4.674700     -2.4000001E-03  1.1900000E-02
 C  -0.1264000     -0.1075000      -1.513700    
 H  -0.2296000      0.1408000       1.871400    
 H    2.024600      -2.143700      0.2673000    
 H    2.024000       2.154700     -6.6200003E-02
 H   -2.114800       2.192700      0.4105000    
 H   -2.089600      -2.118400      0.6183000    
 H    4.469500      -2.108800      0.6177000    
 H    4.468800       2.175300      0.2849000    
 H   -4.536000       2.146000     -6.1600000E-02
 H   -4.510500      -2.146000      0.1447000    
 H    5.697000      4.7100000E-02  0.6271000    
 H   -5.740600     -1.8600000E-02 -0.1961000    
 H   -1.212600     -0.1196000      -1.662100    


%chk=000139550-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000139550

0 1
O 0.827399 -0.167515 -2.861880
C 1.902480 0.050225 -0.077103
C 0.460208 0.086326 -0.452112
C -1.973659 0.061406 0.407441
C -0.516179 0.212945 0.528581
C 2.301820 -0.556305 1.149129
C 2.910974 0.618450 -0.906125
C -2.812367 0.789436 1.304998
C -2.596047 -0.824269 -0.524714
C 3.654544 -0.572802 1.546775
C 4.264113 0.600706 -0.506868
C -4.214938 0.684123 1.236753
C -4.000750 -0.933239 -0.587272
C 4.643835 0.010002 0.720601
C -4.816514 -0.173423 0.283849
C 0.061942 0.085004 -1.887958
H -0.166694 0.458711 1.542367
H 1.549462 -1.048342 1.776785
H 2.634624 1.072318 -1.860877
H -2.350178 1.455483 2.043853
H -1.975875 -1.467081 -1.157995
H 3.939020 -1.052444 2.490037
H 5.024398 1.046984 -1.157454
H -4.840015 1.262551 1.925670
H -4.459265 -1.624062 -1.303139
H 5.696596 -0.006017 1.024069
H -5.907187 -0.263736 0.235378
H -0.991747 0.395865 -2.077089


