%chk=000156777.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156777

0 1
 O   0.4249000      -1.608300     -0.1312000    
 O    4.646100      0.7065000      0.1635000    
 O   -1.520200       1.979800     -0.4705000    
 O   0.7090000       3.234300     -0.1988000    
 O   -3.840000     -0.9366000      -2.297900    
 O   -7.120700     -0.1041000       1.057100    
 C   -1.678300     -0.4347000     -0.4804000    
 C    5.389600     -0.5285000      0.1941000    
 C    1.134500     -0.4318000     -8.7899998E-02
 C   0.5087000      0.8199000     -0.1756000    
 C  -0.9161000      -1.467500      0.3462000    
 C    2.535300     -0.5129000      1.1600000E-02
 C  -0.9588000      0.8953000     -0.3614000    
 C    3.283900      0.6686000      5.5300001E-02
 C   -3.136500     -0.3497000     -8.2900003E-02
 C    4.565300      -1.790900      0.1674000    
 C    1.264200       1.992200     -0.1274000    
 C    3.233400      -1.790500      8.4200002E-02
 C    2.649700       1.913000     -7.4999998E-03
 C    6.222000     -0.4960000       1.481300    
 C    6.321300     -0.5051000      -1.023500    
 C   -4.145300     -0.6048000      -1.012200    
 C   -3.467400     -1.2100000E-02   1.229800    
 C   -5.484000     -0.5224000     -0.6292000    
 C   -4.806000      7.0400000E-02   1.612700    
 C   -5.814500     -0.1846000      0.6832000    
 H   -1.583200     -0.7087000      -1.539400    
 H  -0.8854000      -1.227600       1.417400    
 H   -1.392800      -2.450700      0.2552000    
 H    5.086100      -2.744100      0.2163000    
 H    2.679500      -2.721200      6.7199998E-02
 H    3.250400       2.819500      3.0500000E-02
 H    6.881500      -1.366700       1.566700    
 H    6.839700      0.4089000       1.524300    
 H    5.573200     -0.4678000       2.365100    
 H    6.941300      0.3992000      -1.023500    
 H    6.984400      -1.376800      -1.050300    
 H    5.744600     -0.4826000      -1.956100    
 H   -2.698300      0.1987000       1.967900    
 H   -6.270900     -0.7211000      -1.352800    
 H   -5.057300      0.3357000       2.636000    
 H    1.408800       3.907600     -0.1485000    
 H   -4.664300      -1.076700      -2.794700    
 H   -7.681800     -0.3111000      0.2901000    


%chk=000156777-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156777

0 1
O 0.423093 -1.449583 0.106953
O 4.766404 0.590237 0.569115
O -1.516892 2.282029 -0.043823
O 0.875259 3.420828 0.458686
O -3.334430 -1.689055 -1.968151
O -7.348218 -0.302167 0.549062
C -1.648609 -0.145318 -0.368170
C 5.454161 -0.691054 0.108512
C 1.167709 -0.273610 0.212345
C 0.547842 1.022844 0.226476
C -1.020697 -1.317063 0.410684
C 2.568882 -0.465613 0.301945
C -0.908439 1.173408 -0.027650
C 3.388647 0.692126 0.422726
C -3.151433 -0.134537 -0.138271
C 4.559187 -1.895155 0.362607
C 1.431230 2.144513 0.402071
C 3.201357 -1.780200 0.398074
C 2.829344 1.981867 0.497208
C 6.744873 -0.730610 0.940647
C 5.741597 -0.518837 -1.401259
C -3.980007 -0.946183 -0.954449
C -3.780024 0.595620 0.900231
C -5.378148 -1.026805 -0.759495
C -5.169342 0.532918 1.123689
C -5.966553 -0.277916 0.286592
H -1.462473 -0.340904 -1.444662
H -1.136569 -1.171762 1.503904
H -1.460360 -2.279227 0.109182
H 5.056765 -2.864843 0.476534
H 2.554834 -2.652701 0.524936
H 3.496480 2.841788 0.623170
H 7.362037 -1.596801 0.641362
H 7.330862 0.190379 0.779794
H 6.511340 -0.817073 2.014895
H 6.363527 0.377632 -1.573864
H 6.279295 -1.403570 -1.788172
H 4.799107 -0.417624 -1.966764
H -3.171756 1.253668 1.526161
H -5.994970 -1.666868 -1.406466
H -5.647981 1.108399 1.920068
H 1.594143 4.098382 0.552052
H -3.990766 -2.159839 -2.537991
H -7.824711 -0.877721 -0.099096


