%chk=000080497.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080497

0 1
 O    2.447600      -1.385200     -0.2581000    
 C    2.183200       1.426400      7.1900003E-02
 C   -2.763400      0.7676000      2.4599999E-02
 C    1.009300      0.5089000     -2.8000001E-02
 C   -1.344000      0.1812000     -5.2099999E-02
 C  -0.2783000       1.040700      4.1600000E-02
 C    1.188500     -0.8650000     -0.1892000    
 C   8.0200002E-02  -1.706900     -0.2808000    
 C   -1.207400      -1.175000     -0.2111000    
 C    1.727700       2.907500      0.2472000    
 C    3.067200       1.353200      -1.210900    
 C    3.154200       1.143700       1.265000    
 C   -3.514800      0.1530000       1.225300    
 C   -3.531000      0.4426000      -1.275000    
 C   -2.796900       2.302500      0.2025000    
 C   0.2516000      -3.180100     -0.4540000    
 C   0.3263000      -3.915100      0.8811000    
 H  -0.4423000       2.096100      0.1672000    
 H   -2.064200      -1.837400     -0.2809000    
 H    2.602100       3.569000      0.3068000    
 H    1.143400       3.268100     -0.6081000    
 H    1.167400       3.065300       1.176700    
 H    2.459200       1.510100      -2.109900    
 H    3.839100       2.132200      -1.197700    
 H    3.588500      0.3991000      -1.326000    
 H    3.948700       1.897100       1.320400    
 H    2.606600       1.161600       2.214500    
 H    3.641600      0.1674000       1.189000    
 H   -4.516000      0.5879000       1.328400    
 H   -3.648000     -0.9298000       1.126300    
 H   -2.975500      0.3340000       2.162800    
 H   -3.664700     -0.6343000      -1.424200    
 H   -4.532700      0.8882000      -1.263400    
 H   -3.003300      0.8337000      -2.153100    
 H   -3.832500       2.662900      0.2501000    
 H   -2.316900       2.621100       1.135400    
 H   -2.326900       2.826300     -0.6384000    
 H  -0.6005000      -3.578200      -1.021200    
 H    1.122600      -3.418500      -1.075200    
 H  -0.5814000      -3.754600       1.472900    
 H    1.179600      -3.576400       1.477700    
 H   0.4350000      -4.991300      0.7133000    
 H    2.444800      -2.329500     -3.9000001E-02


%chk=000080497-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080497

0 1
O 2.481213 -1.417781 -0.252530
C 2.269626 1.470975 0.087156
C -2.879528 0.806770 0.003744
C 1.038363 0.536536 -0.024410
C -1.442986 0.232439 -0.060373
C -0.286017 1.043091 0.036941
C 1.172662 -0.871031 -0.191804
C 0.042210 -1.730925 -0.286657
C -1.246871 -1.160291 -0.225849
C 1.862965 2.957830 0.269231
C 3.128770 1.373609 -1.211362
C 3.131598 1.064017 1.321795
C -3.638462 0.173730 1.209416
C -3.637083 0.461549 -1.314178
C -2.896831 2.347420 0.179624
C 0.213836 -3.241266 -0.408971
C 0.567975 -3.925111 0.941594
H -0.413968 2.119087 0.163800
H -2.110343 -1.832649 -0.307664
H 2.778194 3.573520 0.343280
H 1.275275 3.335594 -0.588265
H 1.278159 3.117421 1.194351
H 2.542287 1.696378 -2.091945
H 4.012759 2.034142 -1.125533
H 3.477362 0.342687 -1.380110
H 4.012087 1.730180 1.399626
H 2.544839 1.159261 2.254647
H 3.485277 0.024842 1.234605
H -4.673210 0.563224 1.259970
H -3.694162 -0.926431 1.123143
H -3.130067 0.412805 2.161540
H -3.689942 -0.629554 -1.479790
H -4.672827 0.849421 -1.275059
H -3.129899 0.911172 -2.187414
H -3.943012 2.702954 0.219555
H -2.401660 2.658923 1.118078
H -2.399927 2.861875 -0.663684
H -0.726473 -3.677065 -0.792905
H 0.982243 -3.502651 -1.170840
H -0.235570 -3.751442 1.678702
H 1.501797 -3.522456 1.376128
H 0.689679 -5.016678 0.815361
H 2.433360 -2.386017 -0.448543


