%chk=000020959.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020959

0 1
 O   -2.408500       1.977900      5.6299999E-02
 C   -1.081000     -1.2700000E-02  0.4654000    
 C   -1.381600      -1.399500     -0.1062000    
 C   0.2052000      0.5825000     -7.1099997E-02
 C   -2.896000      -1.525000      9.9999997E-05
 C   -3.420200     -0.1582000     -0.4222000    
 C   -2.313500      0.7572000      3.7200000E-02
 C    1.421900     -0.2415000      0.3494000    
 C    2.714500      0.3433000     -0.2220000    
 C    3.934600     -0.4610000      0.2260000    
 C    5.224400      0.1371000     -0.3128000    
 H   -1.079400     -4.7899999E-02   1.561600    
 H  -0.8750000      -2.194800      0.4494000    
 H   -1.078300      -1.472400      -1.158300    
 H   0.3159000       1.609900      0.2987000    
 H   0.1625000      0.6562000      -1.165400    
 H   -3.182100      -1.733700       1.038300    
 H   -3.291900      -2.329100     -0.6271000    
 H   -4.365800      8.3899997E-02  6.7400001E-02
 H   -3.512900     -8.5000001E-02  -1.509500    
 H    1.482600     -0.2723000       1.444200    
 H    1.322000      -1.276000      1.7000000E-03
 H    2.662100      0.3537000      -1.317600    
 H    2.821700       1.384500      0.1062000    
 H    3.982200     -0.4875000       1.320900    
 H    3.845100      -1.497200     -0.1202000    
 H    5.223100      0.1508000      -1.407500    
 H    6.083700     -0.4543000      1.8400000E-02
 H    5.360300       1.163000      4.3800000E-02


%chk=000020959-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020959

0 1
O -2.353059 2.044248 0.116926
C -1.104150 -0.092774 0.372890
C -1.511623 -1.494021 -0.154055
C 0.217206 0.498081 -0.164479
C -3.058170 -1.542884 0.019548
C -3.519554 -0.105717 -0.325675
C -2.332993 0.790489 0.064512
C 1.471780 -0.262963 0.318796
C 2.787841 0.348205 -0.212299
C 4.049059 -0.406885 0.266186
C 5.359510 0.206306 -0.272900
H -1.038039 -0.136552 1.484665
H -1.003472 -2.317832 0.375325
H -1.247086 -1.574518 -1.227682
H 0.278088 1.559651 0.146362
H 0.187327 0.496623 -1.273760
H -3.311391 -1.779318 1.070612
H -3.530990 -2.310470 -0.616558
H -4.447234 0.224055 0.172801
H -3.682523 0.010847 -1.416770
H 1.491930 -0.266833 1.429242
H 1.411821 -1.325313 0.004044
H 2.767095 0.357864 -1.322283
H 2.854137 1.409746 0.105215
H 4.071107 -0.412618 1.375242
H 3.979160 -1.468497 -0.048444
H 5.375029 0.198402 -1.379203
H 6.245150 -0.352592 0.081575
H 5.469646 1.257168 0.055265