%chk=000114559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114559

0 1
 O   -3.528900      -1.485600      0.2263000    
 C    1.748800      -1.003200     -0.2296000    
 C   0.4897000     -0.1430000     -0.5878000    
 C    2.291600     -0.6261000       1.174500    
 C  -0.7845000     -0.5370000      0.1752000    
 C   0.7714000       1.335200     -0.3643000    
 C    2.535800      0.8752000       1.351100    
 C    1.306600       1.707600      0.9942000    
 C    2.850900     -0.7720000      -1.292800    
 C    1.424100      -2.511200     -0.2415000    
 C   -1.972900      0.3039000     -0.2803000    
 C   -3.260500     -0.1030000      0.4435000    
 C   0.5822000       2.250800      -1.327000    
 C   -4.454300      0.7083000     -4.1600000E-02
 H   0.2806000     -0.3096000      -1.655200    
 H    3.226800      -1.164400       1.374800    
 H    1.581800     -0.9539000       1.944900    
 H   -1.014300      -1.589800     -2.0099999E-02
 H  -0.6514000     -0.4387000       1.258700    
 H    3.386700       1.188700      0.7345000    
 H    2.820000       1.075500       2.390900    
 H    1.571300       2.770900       1.040200    
 H   0.5247000       1.552300       1.747000    
 H    3.755300      -1.342700      -1.052400    
 H    2.510800      -1.095800      -2.283300    
 H    3.141400      0.2794000      -1.376700    
 H    2.335600      -3.109500     -0.1258000    
 H   0.7567000      -2.794100      0.5791000    
 H   0.9518000      -2.806400      -1.185100    
 H   -1.808100       1.369500     -9.1200002E-02
 H   -2.107900      0.1707000      -1.361300    
 H   -3.134400      4.4799998E-02   1.522400    
 H   0.2066000       1.971100      -2.305400    
 H   0.7971000       3.300500      -1.157500    
 H   -4.640500      0.5321000      -1.106700    
 H   -5.363700      0.4085000      0.4902000    
 H   -4.297700       1.779800      0.1156000    
 H   -4.334900      -1.710000      0.7218000    


%chk=000114559-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114559

0 1
O -3.520064 -1.556874 -0.039456
C 1.757042 -1.010849 -0.207578
C 0.502983 -0.124825 -0.594346
C 2.275956 -0.608269 1.208570
C -0.791379 -0.505770 0.189349
C 0.839125 1.360296 -0.428912
C 2.584427 0.900284 1.349123
C 1.356273 1.761643 0.945757
C 2.868993 -0.785410 -1.270500
C 1.403731 -2.520689 -0.204789
C -2.024767 0.325871 -0.222751
C -3.321148 -0.165179 0.439681
C 0.701208 2.258422 -1.439577
C -4.538655 0.709517 0.091622
H 0.292060 -0.312936 -1.669205
H 3.183371 -1.201829 1.440299
H 1.515990 -0.890957 1.966269
H -1.029386 -1.567390 0.004983
H -0.626710 -0.399577 1.281046
H 3.446177 1.172119 0.709721
H 2.875502 1.129200 2.392961
H 1.613463 2.837038 0.962468
H 0.559161 1.606787 1.703829
H 3.802539 -1.301636 -0.975718
H 2.552678 -1.191585 -2.250293
H 3.095902 0.285044 -1.414658
H 2.323627 -3.125743 -0.090952
H 0.724384 -2.788802 0.623957
H 0.918359 -2.820389 -1.153277
H -1.876211 1.392757 0.031374
H -2.157896 0.273388 -1.322324
H -3.181279 -0.180233 1.545409
H 0.343625 1.956962 -2.432015
H 0.944401 3.319888 -1.305176
H -4.702854 0.717232 -1.001057
H -5.460442 0.333785 0.577030
H -4.384625 1.751526 0.428369
H -4.371262 -1.904016 0.330072


