%chk=000138951.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138951

0 1
 O   0.4413000     -0.2457000     -0.9734000    
 O    2.618800       3.011800      0.1505000    
 C   -3.127100     -0.5485000      0.1628000    
 C   -4.409300      0.2453000     -0.1030000    
 C   -1.903500      1.4400000E-02 -0.5585000    
 C   -5.628800     -0.3035000      0.6385000    
 C  -0.6617000     -0.8256000     -0.2906000    
 C   -6.888200      0.4735000      0.2853000    
 C    1.680200     -0.4313000     -0.4169000    
 C    2.449900      0.6581000     -2.2700001E-02
 C    2.154300      -1.728800     -0.2518000    
 C    3.707500      0.4480000      0.5429000    
 C    3.411800      -1.938900      0.3140000    
 C    4.188400     -0.8507000      0.7113000    
 C    1.966300       2.021900     -0.1883000    
 H   -3.282600      -1.589700     -0.1461000    
 H   -2.933900     -0.5645000       1.242700    
 H   -4.251500       1.291500      0.1873000    
 H   -4.609700      0.2436000      -1.181800    
 H   -1.721100       1.048800     -0.2418000    
 H   -2.087200      5.8699999E-02  -1.639100    
 H   -5.774600      -1.359300      0.3825000    
 H   -5.459800     -0.2514000       1.720100    
 H  -0.4739000     -0.8672000      0.7902000    
 H  -0.8105000      -1.846800     -0.6597000    
 H   -7.748000      6.7500003E-02  0.8273000    
 H   -6.785200       1.529800      0.5534000    
 H   -7.101300      0.4096000     -0.7865000    
 H    1.564300      -2.585500     -0.5646000    
 H    4.331800       1.279000      0.8607000    
 H    3.787200      -2.949800      0.4432000    
 H    5.167700      -1.014600       1.151300    
 H   0.9687000       2.153600     -0.6387000    


%chk=000138951-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000138951

0 1
O 0.428666 0.333720 -0.061856
O 3.447469 3.003929 -0.713202
C -3.268382 -0.574128 0.221239
C -4.563608 0.236002 -0.011107
C -1.990375 0.258083 -0.033891
C -5.847836 -0.581011 0.257240
C -0.720177 -0.568409 0.171188
C -7.138296 0.230959 0.014590
C 1.720514 -0.186595 0.049747
C 2.795320 0.731354 -0.177854
C 1.998626 -1.540882 0.366834
C 4.132268 0.263024 -0.083821
C 3.338636 -1.975917 0.452944
C 4.412613 -1.079996 0.228263
C 2.533136 2.154377 -0.506027
H -3.273575 -1.465063 -0.441565
H -3.261109 -0.958806 1.262691
H -4.558191 1.133825 0.641505
H -4.579834 0.611164 -1.055527
H -1.965025 1.130082 0.647386
H -1.997228 0.656032 -1.066702
H -5.849495 -1.481616 -0.390648
H -5.833091 -0.950619 1.303070
H -0.666156 -0.970817 1.204074
H -0.674184 -1.414523 -0.545521
H -8.041168 -0.376451 0.209080
H -7.179528 1.118093 0.674482
H -7.190669 0.589051 -1.030948
H 1.188806 -2.253193 0.545604
H 4.930644 0.991880 -0.264239
H 3.543518 -3.024459 0.697469
H 5.447040 -1.430811 0.297556
H 1.460973 2.445025 -0.561554


