%chk=000078058.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078058

0 1
 O   0.6533000       2.640100      0.2144000    
 O    2.653400      0.9198000     -0.6648000    
 O   -1.882300       1.508000      0.5569000    
 O    2.361800      -1.771400      4.3200001E-02
 O   -3.566200     -0.5010000     -0.4212000    
 O    1.321700      -3.443000       2.032400    
 C    1.715400       3.120000     -0.6011000    
 C  -0.5265000       3.412200      4.0199999E-02
 C    2.949700       2.274100     -0.3544000    
 C   -1.619000       2.854600      0.9321000    
 C    3.785900      8.1000000E-02 -0.4720000    
 C   -2.886100      0.9261000       1.376700    
 C    3.408900      -1.346700     -0.8181000    
 C   -3.122100     -0.5040000      0.9302000    
 C    1.951400      -3.101000     -0.2519000    
 C   -3.782800      -1.820600     -0.9008000    
 C   0.8359000      -3.496500      0.6965000    
 C   -4.252400      -1.751900      -2.338400    
 H    1.416800       3.039700      -1.652700    
 H    1.927800       4.168100     -0.3629000    
 H  -0.3305000       4.457900      0.3014000    
 H  -0.8389000       3.352100      -1.008800    
 H    3.237200       2.340100      0.7013000    
 H    3.776600       2.630900     -0.9784000    
 H   -2.529400       3.454900      0.8272000    
 H   -1.288600       2.874400       1.977200    
 H    4.610000      0.4143000      -1.112300    
 H    4.095100      0.1381000      0.5782000    
 H   -2.567500      0.9405000       2.424800    
 H   -3.811300       1.504400       1.270300    
 H    4.278900      -2.001600     -0.6985000    
 H    3.058100      -1.394300      -1.855600    
 H   -2.185800      -1.070400      0.9956000    
 H   -3.877200     -0.9751000       1.568900    
 H    1.597900      -3.161400      -1.286900    
 H    2.806600      -3.773800     -0.1192000    
 H   -2.850300      -2.393300     -0.8450000    
 H   -4.542800      -2.317800     -0.2878000    
 H   0.4886000      -4.512200      0.4863000    
 H  -3.5000001E-03  -2.798500      0.6172000    
 H   -5.178300      -1.172200      -2.414400    
 H   -3.508500      -1.246500      -2.963300    
 H   -4.429100      -2.753500      -2.740400    
 H   0.5851000      -3.698700       2.613500    


%chk=000078058-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078058

0 1
O 0.731271 2.670106 0.240675
O 3.112627 0.899069 -0.562252
O -2.058285 1.410864 0.188375
O 3.038203 -1.999871 0.339457
O -4.536602 -0.277336 -0.409301
O 2.261060 -4.006603 2.155157
C 1.863899 2.977057 -0.634044
C -0.526780 3.226989 -0.265846
C 3.101108 2.283183 -0.080925
C -1.658191 2.746779 0.632044
C 4.190931 0.112637 0.037060
C -2.979080 0.765858 1.127415
C 4.065684 -1.322101 -0.455131
C -3.434878 -0.551878 0.518210
C 2.694639 -3.332408 -0.178657
C -4.940690 -1.470531 -1.163176
C 1.680216 -3.903714 0.813097
C -6.095314 -1.066154 -2.079645
H 1.674200 2.619424 -1.669170
H 2.031326 4.078821 -0.666078
H -0.477929 4.340396 -0.258176
H -0.719185 2.887841 -1.306362
H 3.071514 2.316031 1.029563
H 4.020269 2.809783 -0.427169
H -2.525282 3.441781 0.562101
H -1.302788 2.729533 1.685988
H 5.181570 0.526304 -0.263649
H 4.125755 0.131707 1.146905
H -2.458045 0.580472 2.093570
H -3.868371 1.405601 1.320377
H 5.037798 -1.852758 -0.343408
H 3.784896 -1.314753 -1.529766
H -2.577405 -1.021852 -0.010590
H -3.780102 -1.244514 1.319221
H 2.258471 -3.253651 -1.198564
H 3.603429 -3.972668 -0.218617
H -4.077814 -1.851590 -1.754645
H -5.254546 -2.277034 -0.460810
H 1.391809 -4.928867 0.525936
H 0.776979 -3.258445 0.820374
H -6.947732 -0.693876 -1.485424
H -5.775394 -0.262690 -2.765230
H -6.434657 -1.929340 -2.681093
H 2.668417 -3.121702 2.347801


