%chk=000131629.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131629

0 1
 O   -2.062200      -2.243100       1.858400    
 O   -1.168400      -3.450600      -1.524900    
 O    4.720300      0.1609000      -1.409000    
 O   -3.738400       1.074600     -0.7799000    
 O   -5.577000     -0.2501000     -0.2103000    
 O    2.055900       4.550300     -0.4695000    
 O   0.4120000       3.155200      -1.376300    
 O   -2.602400       1.624900     -5.0099999E-02
 O  -0.4628000       2.094300     -0.8917000    
 O   -7.663500      0.4687000     -3.9799999E-02
 O   -5.994800       1.844200      0.6763000    
 N   -2.056500      -1.276000     -0.2718000    
 N    3.550600       2.060600      0.2296000    
 N    4.361200      0.9463000       2.114700    
 N  -0.4340000      -4.710800      0.2447000    
 N    5.573700      -1.154400      0.2645000    
 N   -1.846200       2.537000     -0.8910000    
 C   0.9503000      -1.647200      0.3171000    
 C    2.177900     -0.9410000      0.3590000    
 C  -0.1259000      -1.163800       1.101800    
 C    2.256500      0.2155000       1.174800    
 C   0.8513000      -2.786200     -0.5144000    
 C    3.253700      -1.401900     -0.4343000    
 C   1.0700000E-02 -7.6099999E-02   1.969800    
 C    1.208700      0.6148000       2.008800    
 C    1.928900      -3.222000      -1.284300    
 C    3.130100      -2.529600      -1.244600    
 C   -1.505800      -1.658400      0.9383000    
 C    3.424800       1.130900       1.125300    
 C  -0.3182000      -3.648700     -0.6434000    
 C    4.547500     -0.7439000     -0.5776000    
 C   -3.477600      -1.323300     -0.5451000    
 C    2.569200       2.244400     -0.8425000    
 C   -4.174600     -6.2600002E-02 -3.2000002E-02
 C    1.485700       3.243600     -0.4368000    
 C    1.104700       5.537100     -0.1025000    
 C   -6.365400      0.7866000      0.1887000    
 H  -0.8291000      0.2790000       2.561300    
 H    1.297200       1.497100       2.637000    
 H    1.849000      -4.100900      -1.919900    
 H    3.956800      -2.874200      -1.861400    
 H   -1.474900     -0.7961000     -0.9530000    
 H   -3.905900      -2.216900     -7.7699997E-02
 H   -3.595800      -1.417000      -1.630100    
 H    3.108400       2.630400      -1.716900    
 H    2.125300       1.303900      -1.181200    
 H   -3.977000      7.7500001E-02   1.039700    
 H    4.265900      0.2228000       2.819800    
 H    5.188100       1.531600       2.163400    
 H    1.118300       3.050800      0.5775000    
 H   0.2572000      -4.888000      0.9666000    
 H   -1.223500      -5.346300      0.1979000    
 H    5.443700      -1.885800      0.9561000    
 H    6.492200     -0.7265000      0.2148000    
 H    1.614600       6.503800     -6.4000003E-02
 H   0.6880000       5.328700      0.8879000    
 H   0.3030000       5.605900     -0.8437000    
 H   -1.787100       3.341900     -0.2689000    
 H   -8.270600       1.189100      0.2332000    


%chk=000131629-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131629

0 1
O -2.245980 -2.356914 2.007950
O -0.798189 -4.057948 -2.063361
O 5.095863 0.033618 -1.606233
O -3.411005 0.891887 -0.905808
O -5.524267 -0.149861 -0.421108
O 2.106938 4.390230 -1.187459
O 0.313177 2.877509 -1.325978
O -2.808032 2.179878 0.266979
O -0.517651 2.016976 -0.415955
O -7.625773 0.588384 -0.237030
O -6.000912 1.521726 1.168994
N -2.063434 -1.497169 -0.154979
N 3.433215 2.045002 0.588858
N 4.117775 1.183977 2.633657
N -0.588925 -4.465078 0.210548
N 5.386384 -0.934207 0.484327
N -1.831378 2.836698 -0.234788
C 0.971131 -1.782372 0.269222
C 2.221297 -1.020109 0.373175
C -0.069380 -1.541690 1.244301
C 2.370460 -0.075930 1.462636
C 0.812672 -2.719269 -0.822778
C 3.226471 -1.203365 -0.651385
C 0.201234 -0.774382 2.384569
C 1.411697 -0.045871 2.490307
C 1.757572 -2.752022 -1.856554
C 2.948501 -1.988825 -1.777595
C -1.536897 -1.880829 1.065180
C 3.352512 1.078584 1.476118
C -0.280255 -3.767835 -0.941858
C 4.624122 -0.613805 -0.624966
C -3.504758 -1.487654 -0.411460
C 2.573815 2.082086 -0.604950
C -4.045119 -0.064308 -0.103294
C 1.588621 3.259386 -0.522850
C 1.421157 5.664538 -0.893225
C -6.332186 0.730790 0.258190
H -0.586044 -0.655113 3.135244
H 1.543985 0.654202 3.321739
H 1.578129 -3.422198 -2.702504
H 3.697784 -2.049559 -2.572606
H -1.473155 -0.986318 -0.816524
H -3.992433 -2.219196 0.251208
H -3.704790 -1.744053 -1.464538
H 3.210417 2.228848 -1.495944
H 1.966866 1.172637 -0.773305
H -3.936774 0.183125 0.971984
H 4.169269 0.425368 3.307171
H 4.716756 2.002091 2.736254
H 1.231948 3.459599 0.508889
H -0.199096 -4.228991 1.122029
H -1.335400 -5.159187 0.165349
H 5.021889 -1.507318 1.242855
H 6.331644 -0.556314 0.548502
H 2.010285 6.437676 -1.406953
H 1.413241 5.858044 0.197161
H 0.387970 5.656174 -1.283599
H -1.942093 3.349992 -1.138276
H -8.217069 1.209666 0.262863


