%chk=000080724.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080724

0 1
 O   -1.853600      -2.423700     -0.2966000    
 C   0.5814000      0.3486000     -2.4800001E-02
 C   3.8800001E-02 -0.9546000     -0.1422000    
 C    2.012400      0.5131000      1.3100000E-02
 C   -2.250200     -7.7200003E-02 -0.1083000    
 C   -1.352700      -1.150800     -0.1820000    
 C   -1.740500       1.228400      8.7000001E-03
 C  -0.3460000       1.419400      4.8300002E-02
 C    2.844100     -0.6342000     -6.8000004E-02
 C   0.8901000      -2.060200     -0.2194000    
 C    2.271500      -1.902800     -0.1829000    
 C    2.667900       1.764900      0.1280000    
 C   -3.641200     -0.2750000     -0.1484000    
 C   -2.635700       2.309500      8.3099999E-02
 C    4.243500     -0.5085000     -3.3900000E-02
 C    4.060800       1.876300      0.1608000    
 C   -4.516800      0.8080000     -7.3500000E-02
 C   -4.014400       2.099700      4.2199999E-02
 C    4.848800      0.7391000      7.9800002E-02
 C   -2.108200      -3.120300      0.9161000    
 H   1.4400000E-02   2.442700      0.1394000    
 H   0.5094000      -3.073800     -0.3214000    
 H    2.897100      -2.791100     -0.2484000    
 H    2.103200       2.691200      0.1952000    
 H   -4.072900      -1.267900     -0.2482000    
 H   -2.264500       3.328400      0.1737000    
 H    4.879800      -1.389600     -9.6299998E-02
 H    4.523900       2.854800      0.2498000    
 H   -5.589600      0.6427000     -0.1078000    
 H   -4.694000       2.944800      0.1001000    
 H    5.931200      0.8203000      0.1049000    
 H   -1.196500      -3.225500       1.512300    
 H   -2.472900      -4.120400      0.6652000    
 H   -2.875800      -2.612300       1.508000    


%chk=000080724-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080724

0 1
O -1.892133 -2.504757 -0.291535
C 0.576429 0.342893 -0.022037
C 0.034120 -1.003132 -0.149032
C 2.039422 0.515172 0.015020
C -2.281005 -0.094896 -0.109175
C -1.370844 -1.189705 -0.166356
C -1.731603 1.244136 0.016343
C -0.322276 1.425893 0.064866
C 2.888996 -0.644410 -0.083996
C 0.931809 -2.134975 -0.262734
C 2.298270 -1.961348 -0.230246
C 2.662952 1.791699 0.145989
C -3.705986 -0.268972 -0.178435
C -2.642168 2.355794 0.088612
C 4.307291 -0.490074 -0.047455
C 4.060055 1.925155 0.181050
C -4.556635 0.832534 -0.107464
C -4.020184 2.157590 0.032873
C 4.892935 0.776517 0.083939
C -2.146891 -3.176379 1.000351
H 0.051945 2.449405 0.168406
H 0.488264 -3.125041 -0.403444
H 2.970526 -2.822277 -0.326092
H 2.050053 2.694978 0.222541
H -4.100336 -1.280755 -0.314742
H -2.230661 3.367704 0.184118
H 4.936895 -1.384541 -0.125363
H 4.510002 2.918754 0.283474
H -5.641759 0.694690 -0.168133
H -4.703064 3.012470 0.087462
H 5.982643 0.884068 0.110767
H -1.210722 -3.279632 1.582572
H -2.544140 -4.171046 0.746038
H -2.889402 -2.613514 1.598419


