%chk=000028577.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028577

0 1
 O  -7.0500001E-02   3.082600     -0.8077000    
 C   0.4752000     -6.6399999E-02  4.5299999E-02
 C   1.4300000E-02  -1.403600     -3.2499999E-02
 C   -1.362500      -1.687600     -4.8400000E-02
 C   -2.324900     -0.6708000      1.1300000E-02
 C  -0.5168000      0.9457000      0.1048000    
 C   -1.896800      0.6668000      8.9199997E-02
 C    1.893400      0.1883000      5.9500001E-02
 C    2.794600     -0.9064000     -4.8000002E-03
 C   0.9326000      -2.455300     -9.4300002E-02
 C    2.301600      -2.210800     -8.0700003E-02
 C   -1.826700      -3.118600     -0.1318000    
 C   -3.701000     -0.9562000     -4.6000001E-03
 C   -2.857500       1.691300      0.1495000    
 C    2.470200       1.481200      0.1347000    
 C    4.183600     -0.6925000      7.1000000E-03
 C  -0.2102000       2.372600      0.1870000    
 C   -4.642100      7.1300000E-02  5.5799998E-02
 C   -4.220600       1.394600      0.1329000    
 C    3.853500       1.680500      0.1457000    
 C    4.710600      0.5930000      8.1799999E-02
 H   0.6491000      -3.498400     -0.1872000    
 H    2.981700      -3.058900     -0.1374000    
 H   -2.809300      -3.305800      0.3040000    
 H   -1.833500      -3.454600      -1.173500    
 H   -1.201600      -3.791000      0.4639000    
 H   -4.112000      -1.954800     -9.5200002E-02
 H   -2.593600       2.743700      0.2141000    
 H    1.935200       2.408000      0.2241000    
 H    4.873300      -1.533300     -4.1800000E-02
 H  -0.1370000       2.785800       1.209000    
 H   -5.703100     -0.1603000      3.5599999E-02
 H   -4.952000       2.196200      0.1789000    
 H    4.257500       2.686800      0.2119000    
 H    5.785900      0.7423000      9.1799997E-02


%chk=000028577-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028577

0 1
O -0.675933 3.371425 0.988356
C 0.446501 -0.058330 0.149611
C -0.012782 -1.434446 0.067315
C -1.402608 -1.736275 -0.036783
C -2.359215 -0.665024 -0.086437
C -0.514668 0.985091 0.346824
C -1.920565 0.706867 0.151635
C 1.886925 0.206524 0.010817
C 2.822844 -0.885905 0.123981
C 0.972260 -2.500740 0.133213
C 2.321886 -2.239186 0.224156
C -1.836042 -3.192766 -0.094123
C -3.760776 -0.900274 -0.324777
C -2.911886 1.748862 0.193199
C 2.415845 1.495388 -0.317159
C 4.224621 -0.634849 0.057037
C -0.060203 2.263712 0.958846
C -4.689016 0.138003 -0.309582
C -4.259794 1.473236 -0.036096
C 3.799835 1.722785 -0.397225
C 4.715037 0.658263 -0.176957
H 0.629836 -3.538506 0.125325
H 3.044147 -3.059219 0.311688
H -2.927180 -3.312942 -0.106716
H -1.434063 -3.699178 -0.992024
H -1.463384 -3.747615 0.786620
H -4.112695 -1.912828 -0.537133
H -2.577566 2.770554 0.384054
H 1.735111 2.312196 -0.573654
H 4.917389 -1.477750 0.165241
H 0.901303 2.168142 1.515254
H -5.746969 -0.068581 -0.504840
H -4.992402 2.287568 -0.016648
H 4.171175 2.720650 -0.653204
H 5.793634 0.840548 -0.231815


