%chk=000127316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127316

0 1
 O    4.029300       1.433800       1.514800    
 O    4.828600      7.6300003E-02  -1.736500    
 O   -5.152500       1.506500     -0.1801000    
 C  -0.4945000      6.4300001E-02  3.6400001E-02
 C    2.250500      0.7083000      8.7899998E-02
 C   0.4647000     -0.9816000      0.1188000    
 C    1.852400     -0.6448000      0.1491000    
 C    3.711400       1.104200      0.1604000    
 C   -1.888300     -0.2230000      4.3000001E-03
 C  -7.7100001E-02   1.414500     -1.4800000E-02
 C    4.672500      6.8999999E-03 -0.3212000    
 C    1.285600       1.718800      1.3800000E-02
 C   -2.339500      -1.559900      5.0500002E-02
 C   -2.837100      0.8257000     -7.4800000E-02
 C    2.914000      -1.666000      0.2542000    
 C  -3.3399999E-02  -2.304700      0.1574000    
 C    4.198500      -1.372400      1.2700000E-02
 C   -1.029100       2.439500     -9.1799997E-02
 C   -1.401000      -2.588600      0.1257000    
 C   -2.391600       2.149800     -0.1214000    
 C   -4.206500      0.5241000     -0.1051000    
 C   -3.715100      -1.833900      1.8500000E-02
 C   -4.641900     -0.7977000     -5.8600001E-02
 H    3.864900       2.006300     -0.4459000    
 H    5.663600      0.1565000      0.1218000    
 H    1.609500       2.758300     -1.6899999E-02
 H    2.656400      -2.686700      0.5069000    
 H   0.6364000      -3.159100      0.2089000    
 H    4.940800      -2.164300      6.1999999E-02
 H  -0.7186000       3.482000     -0.1305000    
 H   -1.718600      -3.628800      0.1592000    
 H   -3.090900       2.980700     -0.1822000    
 H   -4.076900      -2.859500      5.3199999E-02
 H   -5.701600      -1.037600     -8.1900001E-02
 H    4.938800       1.777700       1.527000    
 H    3.946000      3.1500001E-02  -2.142800    
 H   -6.036700       1.101800     -0.1901000    


%chk=000127316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127316

0 1
O 3.965195 1.394801 1.624640
O 4.913123 0.154958 -1.795352
O -5.177755 1.574451 -0.172363
C -0.511610 0.083826 0.029863
C 2.263842 0.734604 0.078622
C 0.471502 -0.973923 0.111430
C 1.869392 -0.639261 0.132837
C 3.731990 1.109881 0.184913
C -1.918271 -0.223575 0.008226
C -0.087126 1.460943 -0.033635
C 4.702540 0.014908 -0.324438
C 1.303182 1.752236 -0.010819
C -2.357242 -1.596080 0.065686
C -2.884696 0.843051 -0.073321
C 2.920789 -1.664660 0.200631
C -0.008552 -2.339988 0.160094
C 4.245848 -1.382008 0.014302
C -1.080698 2.505226 -0.115100
C -1.360164 -2.635855 0.141045
C -2.433412 2.211806 -0.133665
C -4.269661 0.504820 -0.092041
C -3.748510 -1.878751 0.044468
C -4.697238 -0.841012 -0.033032
H 3.934659 2.020758 -0.417248
H 5.709255 0.215684 0.085340
H 1.631076 2.798196 -0.041871
H 2.630827 -2.703129 0.388908
H 0.708487 -3.163548 0.212106
H 5.000326 -2.175350 0.044687
H -0.739686 3.545959 -0.159721
H -1.695081 -3.679083 0.182452
H -3.184909 3.003475 -0.193558
H -4.086002 -2.920153 0.089163
H -5.769035 -1.077691 -0.048235
H 4.887120 1.749713 1.726402
H 4.143895 -0.271983 -2.254726
H -6.110399 1.245653 -0.177787


