%chk=000127448.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127448

0 1
 O    2.076700     -0.6456000      0.2145000    
 O   0.2786000      0.8354000      0.3437000    
 O    4.795800       2.411900      0.5758000    
 O    2.024600       2.977900     -0.2447000    
 O    5.633500     -0.1605000     -0.4868000    
 O    4.856100      -2.735400     -0.2686000    
 O    2.946000      -2.927700      0.9604000    
 O  -0.6339000     -0.4941000      -1.305600    
 C    3.939500       1.514200     -0.1322000    
 C    2.490800       1.743300      0.2995000    
 C    4.393800      8.6800002E-02  0.1745000    
 C    1.579600      0.6233000     -0.2033000    
 C    3.366300     -0.9246000     -0.3183000    
 C    3.666500      -2.291400      0.2058000    
 C   -3.268000     -6.6799998E-02 -0.3084000    
 C   -4.585300      0.3568000      0.3492000    
 C   -2.049700      0.5631000      0.3665000    
 C   -5.783300     -0.3110000     -0.3290000    
 C  -0.7444000      0.2121000     -0.3128000    
 C   -7.097000      8.4600002E-02  0.3471000    
 C   -8.290800     -0.6083000     -0.3091000    
 C   -9.595300     -0.2439000      0.3816000    
 H    4.069900       1.745200      -1.196000    
 H    2.424000       1.832500       1.390200    
 H    4.572700     -2.8800000E-02   1.250600    
 H    1.523000      0.6592000      -1.300500    
 H    3.309100     -0.9836000      -1.412300    
 H    4.686700       2.246200       1.527700    
 H   -3.174000      -1.159600     -0.2773000    
 H   -3.284600      0.2140000      -1.369100    
 H   -4.689800       1.447000      0.2942000    
 H   -4.565300      8.5900001E-02   1.411800    
 H    2.074800       2.918500      -1.214000    
 H    5.488300     -6.8999998E-02  -1.443900    
 H   -2.151200       1.654400      0.3539000    
 H   -1.993300      0.2252000       1.407400    
 H   -5.813300     -2.6300000E-02  -1.387800    
 H   -5.665100      -1.400800     -0.2903000    
 H   -7.057200     -0.1833000       1.410100    
 H   -7.226300       1.172400      0.2930000    
 H   -8.350700     -0.3249000      -1.366200    
 H   -8.157700      -1.695800     -0.2716000    
 H    5.072400      -3.631800      6.5899998E-02
 H   -10.43560     -0.7492000     -0.1046000    
 H   -9.580100     -0.5458000       1.433800    
 H   -9.775000      0.8350000      0.3360000    


%chk=000127448-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127448

0 1
O 2.205480 -0.674152 0.353558
O 0.311879 0.665553 0.281976
O 4.778997 2.658492 0.029220
O 1.909801 2.894396 -0.666179
O 5.783705 -0.113746 -0.481320
O 3.908460 -3.345549 -0.344376
O 4.363500 -2.345480 1.705960
O -0.641777 -0.457658 -1.544070
C 3.927313 1.511442 -0.363809
C 2.463484 1.754714 0.057713
C 4.508066 0.189096 0.164107
C 1.625320 0.516927 -0.296327
C 3.552950 -0.972627 -0.179368
C 3.988912 -2.258820 0.520091
C -3.325279 -0.092410 -0.439780
C -4.611620 0.111077 0.389807
C -2.059039 0.298436 0.346634
C -5.893560 -0.254287 -0.392082
C -0.781395 0.097502 -0.439268
C -7.188951 -0.040514 0.422482
C -8.470763 -0.396560 -0.365015
C -9.762112 -0.171908 0.450839
H 3.993247 1.521038 -1.467256
H 2.406733 1.908215 1.158762
H 4.618034 0.233337 1.270570
H 1.554274 0.363413 -1.393021
H 3.524541 -1.131594 -1.275001
H 4.779909 2.731336 1.020766
H -3.246678 -1.148115 -0.762298
H -3.380017 0.508446 -1.368263
H -4.676283 1.168879 0.721251
H -4.559754 -0.502300 1.313923
H 2.585438 3.621928 -0.646325
H 6.369136 0.682903 -0.400616
H -2.096332 1.355220 0.673899
H -1.973762 -0.297287 1.277907
H -5.940387 0.353072 -1.320094
H -5.835145 -1.313864 -0.717646
H -7.148156 -0.651687 1.348581
H -7.245739 1.018410 0.751790
H -8.507487 0.210777 -1.292505
H -8.416080 -1.455791 -0.689742
H 4.186069 -4.175935 0.130758
H -10.662731 -0.433974 -0.134458
H -9.764230 -0.789938 1.368722
H -9.856171 0.886288 0.760303


