%chk=000062829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062829

0 1
 O  -0.4526000     -0.8685000     -0.5368000    
 O   0.9036000      -1.899200       1.027500    
 O   -3.620700      0.4131000       2.201800    
 C    2.208900      0.9529000     -0.1497000    
 C    3.098700     -0.1887000      0.2459000    
 C    1.870000     -0.4420000     -0.5679000    
 C    1.415400       1.608300      0.9304000    
 C    2.646400       1.894600      -1.221800    
 C    4.395700     -0.3662000     -0.3900000    
 C   0.7353000      -1.155300      7.1900003E-02
 C    5.568400      0.1962000     -4.0600002E-02
 C   -1.597700      -1.509100      1.0100000E-02
 C    6.828900     -9.2799999E-02 -0.8074000    
 C    5.730300       1.141000       1.116500    
 C   -1.829600      -1.006500       1.429900    
 C   -2.831600      -1.106700     -0.7515000    
 C   -3.703600     -0.3744000     -4.4700000E-02
 C   -3.109700     -0.2349000       1.299900    
 C   -2.973500      -1.542400      -2.172800    
 C   -5.008200      0.2336000     -0.3952000    
 C   -4.867300       1.634900     -0.9184000    
 C   -5.407100       2.712300     -0.3371000    
 H    3.084600     -0.4991000       1.286500    
 H    1.997500     -0.6916000      -1.617800    
 H    1.953100       2.476800       1.326600    
 H   0.4516000       1.956400      0.5432000    
 H    1.215400      0.9439000       1.777900    
 H    3.359400       2.625700     -0.8254000    
 H    3.119000       1.392400      -2.073000    
 H    1.786200       2.446700      -1.617200    
 H    4.407700      -1.046400      -1.240700    
 H   -1.464600      -2.597800     -1.4700000E-02
 H    7.240400      0.8332000      -1.222300    
 H    7.578800     -0.5422000     -0.1483000    
 H    6.661200     -0.7839000      -1.640100    
 H    6.445700      0.7341000       1.838700    
 H    6.105400       2.107400      0.7640000    
 H    4.793400       1.326900       1.649600    
 H   -1.053400     -0.3396000       1.813300    
 H   -1.998300      -1.838100       2.121400    
 H   -2.144800      -1.155500      -2.774300    
 H   -3.903500      -1.188400      -2.626600    
 H   -2.966000      -2.635200      -2.235600    
 H   -5.508600     -0.3679000      -1.163600    
 H   -5.677400      0.2046000      0.4738000    
 H   -4.301900       1.771600      -1.837300    
 H   -5.273000       3.696500     -0.7723000    
 H   -5.986100       2.633200      0.5762000    


%chk=000062829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062829

0 1
O -0.614104 0.879219 0.803226
O 0.731691 -0.685988 1.912924
O -5.327966 1.101415 0.725625
C 2.985397 1.567388 1.585175
C 3.122262 0.537867 0.453380
C 1.728575 1.215946 0.724377
C 3.080600 1.063674 3.023993
C 3.537503 2.980015 1.393687
C 3.837573 0.794886 -0.822350
C 0.628956 0.364515 1.225480
C 4.455344 -0.132497 -1.614892
C -1.840118 0.123788 1.232421
C 5.161859 0.290143 -2.892489
C 4.510184 -1.621920 -1.325356
C -2.968492 1.120796 1.544053
C -2.358047 -0.737606 0.082740
C -3.670800 -0.451144 -0.205007
C -4.153314 0.647240 0.680600
C -1.464415 -1.753435 -0.566807
C -4.572904 -1.069622 -1.250317
C -4.337135 -0.462572 -2.628945
C -5.263348 0.231310 -3.334365
H 3.140941 -0.496611 0.815558
H 1.408310 1.988941 0.020589
H 4.141873 1.020310 3.333649
H 2.554275 1.749829 3.714578
H 2.640221 0.059778 3.139890
H 4.625558 2.995557 1.593573
H 3.375713 3.368602 0.373524
H 3.050833 3.678585 2.099025
H 3.870011 1.842986 -1.154628
H -1.543366 -0.505111 2.092816
H 6.232956 0.005662 -2.867551
H 4.722445 -0.216158 -3.775334
H 5.101303 1.379894 -3.057391
H 4.081448 -2.195899 -2.170778
H 5.560434 -1.959235 -1.218313
H 3.967339 -1.912955 -0.412107
H -2.673774 2.140101 1.237477
H -3.249179 1.159196 2.609715
H -0.670003 -1.248902 -1.151618
H -2.017170 -2.420651 -1.248817
H -0.944663 -2.362091 0.196269
H -4.403858 -2.164261 -1.296587
H -5.622455 -0.899721 -0.949534
H -3.329908 -0.606205 -3.049799
H -5.037223 0.648320 -4.322454
H -6.269562 0.410525 -2.936902


