%chk=000091745.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091745

0 1
 O    2.142300      0.3560000       1.066000    
 O  -0.5228000      0.8556000     -0.1540000    
 C    2.645600     -0.3155000     -0.1134000    
 C    1.746200       1.589800      0.4137000    
 C   0.7864000       1.065600     -0.6680000    
 C    1.417600     -0.2823000      -1.033500    
 C    3.703400      0.6808000     -0.6004000    
 C    3.070800       2.023100     -0.2294000    
 C    3.171400      -1.699400      0.1892000    
 C    1.174100       2.589600       1.395200    
 C    3.770900      -2.349000      -1.062900    
 C    4.215900      -1.661100       1.310400    
 C   -1.359200      0.2127000      -1.105800    
 C   -2.721900      1.8900000E-02 -0.5085000    
 C   -3.030400      -1.139900      0.1970000    
 C   -3.674500       1.019600     -0.6739000    
 C   -4.304200      -1.300000      0.7425000    
 C   -2.020100      -2.224000      0.3839000    
 C   -4.948200      0.8597000     -0.1282000    
 C   -5.263200     -0.3002000      0.5799000    
 H   0.7276000       1.751700      -1.521100    
 H   0.7931000      -1.144500     -0.7871000    
 H    1.691300     -0.3381000      -2.091900    
 H    3.899900      0.6011000      -1.674500    
 H    4.660400      0.5968000     -7.8699999E-02
 H    3.714700       2.539400      0.4924000    
 H    2.931400       2.681300      -1.092500    
 H    2.345200      -2.325400      0.5510000    
 H   0.3222000       2.168700       1.939600    
 H    1.916600       2.856200       2.155700    
 H   0.8515000       3.504000      0.8882000    
 H    4.108400      -3.366700     -0.8372000    
 H    3.031700      -2.422100      -1.866800    
 H    4.635100      -1.792700      -1.440200    
 H    5.147900      -1.177600       1.004200    
 H    4.475400      -2.683600       1.609200    
 H    3.837000      -1.153300       2.202900    
 H  -0.9836000     -0.7417000      -1.479600    
 H   -1.444400      0.8584000      -1.990700    
 H   -3.441900       1.929200      -1.221000    
 H   -4.566400      -2.197600       1.296200    
 H   -2.384300      -2.999900       1.066600    
 H   -1.795400      -2.710700     -0.5705000    
 H   -1.098100      -1.828200      0.8220000    
 H   -5.694800       1.638400     -0.2541000    
 H   -6.255000     -0.4245000       1.004500    


%chk=000091745-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091745

0 1
O 2.207511 0.218851 1.089155
O -0.543996 0.750018 -0.167370
C 2.786663 -0.377768 -0.161876
C 1.718697 1.494497 0.468192
C 0.809177 0.969302 -0.689250
C 1.542303 -0.350695 -1.107886
C 3.778295 0.738498 -0.621401
C 3.027812 2.043655 -0.186935
C 3.355004 -1.774454 0.147913
C 1.058452 2.372088 1.517042
C 3.950091 -2.428714 -1.123485
C 4.389056 -1.751924 1.298164
C -1.501631 0.345667 -1.218253
C -2.856300 0.118230 -0.582922
C -3.078082 -0.988503 0.292907
C -3.916888 1.011442 -0.866274
C -4.365823 -1.153717 0.859677
C -1.965998 -1.970671 0.617417
C -5.198497 0.830732 -0.299487
C -5.421925 -0.259124 0.569832
H 0.756965 1.701724 -1.525213
H 0.895887 -1.216417 -0.873964
H 1.809094 -0.381193 -2.178384
H 3.974243 0.698340 -1.707532
H 4.742787 0.643873 -0.096008
H 3.605127 2.601589 0.569884
H 2.822380 2.726776 -1.030716
H 2.493337 -2.388547 0.484276
H 0.160797 1.878467 1.920244
H 1.766948 2.572913 2.339847
H 0.749559 3.337042 1.076400
H 4.317170 -3.445744 -0.894258
H 3.204161 -2.514573 -1.934812
H 4.807197 -1.842313 -1.504932
H 5.324733 -1.245778 0.994054
H 4.652767 -2.784167 1.594057
H 3.980219 -1.226246 2.177374
H -1.137559 -0.581932 -1.712817
H -1.563041 1.144193 -1.989495
H -3.733125 1.863184 -1.532946
H -4.542452 -1.997591 1.537647
H -2.288237 -2.697628 1.382170
H -1.660538 -2.545168 -0.280353
H -1.070174 -1.439758 0.985060
H -6.007768 1.532369 -0.529731
H -6.408797 -0.412226 1.021387


