%chk=000123825.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123825

0 1
 I    1.835300      -3.078600      0.6763000    
 O  -9.3099996E-02 -0.3246000     -0.1084000    
 O   -1.505000      -2.653200     -0.7998000    
 N   -3.566600      0.3733000     -0.2551000    
 N    4.520200      0.1475000      0.4100000    
 C   -2.012300      -1.353700      -1.116500    
 C   -2.950800     -0.9194000      1.1800000E-02
 C   -4.496700      0.7364000      0.8054000    
 C  -0.8334000     -0.4047000      -1.320300    
 C    2.310500     -1.4000000E-02  0.1492000    
 C    1.017400      0.4790000     -0.1164000    
 C   -5.610100     -0.3019000      0.9111000    
 C   -5.065900       2.124200      0.5284000    
 C    3.387600      0.8745000      0.1206000    
 C    2.836400      -1.297800      0.4658000    
 C   0.8502000       1.839400     -0.3998000    
 C    3.235400       2.236800     -0.1614000    
 C    4.197200      -1.166200      0.6204000    
 C    1.943600       2.703000     -0.4214000    
 H   -2.565900      -1.441500      -2.059000    
 H   -2.405500     -0.9014000      0.9640000    
 H   -3.696800      -1.716000      0.1034000    
 H   -3.964500      0.7881000       1.763600    
 H   -4.051200      0.3441000      -1.152000    
 H   -1.196100      0.5790000      -1.636000    
 H  -0.1761000     -0.8049000      -2.102400    
 H   -6.420200      7.5599998E-02   1.546400    
 H   -6.049300     -0.5339000     -6.6000000E-02
 H   -5.272700      -1.233500       1.375700    
 H   -4.265800       2.869500      0.4570000    
 H   -5.737300       2.436200       1.335700    
 H   -5.634300       2.147000     -0.4084000    
 H  -0.1381000       2.251800     -0.5864000    
 H    5.454700      0.5293000      0.4600000    
 H    4.085800       2.910100     -0.1772000    
 H   -2.263600      -3.258600     -0.7406000    
 H    4.970200      -1.883600      0.8607000    
 H    1.790600       3.757000     -0.6388000    


%chk=000123825-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123825

0 1
I 2.857202 -3.216734 -0.413302
O 0.152810 -1.242626 -1.064506
O -2.044875 -3.200595 -1.477121
N -3.260502 0.244392 -0.540335
N 3.767217 0.676854 1.204392
C -2.240296 -1.749027 -1.608317
C -2.772369 -1.126975 -0.298046
C -3.518841 1.082677 0.664464
C -0.902175 -1.175470 -2.091469
C 1.947865 -0.160171 0.095985
C 0.650632 -0.064928 -0.493045
C -4.620119 0.519266 1.602688
C -3.859228 2.515353 0.206324
C 2.501536 1.018194 0.713524
C 2.940074 -1.205196 0.242923
C -0.043467 1.162824 -0.445904
C 1.822514 2.259284 0.756114
C 4.033784 -0.668947 0.920893
C 0.545968 2.305772 0.168136
H -2.982500 -1.550436 -2.419796
H -1.955303 -1.093211 0.445463
H -3.558597 -1.811375 0.114578
H -2.563595 1.112491 1.226692
H -4.069590 0.256245 -1.179915
H -1.043175 -0.140177 -2.448764
H -0.538225 -1.810843 -2.917994
H -4.725486 1.149620 2.505184
H -5.600190 0.496270 1.087191
H -4.380884 -0.506538 1.937549
H -3.050490 2.925184 -0.423962
H -4.001813 3.181852 1.075661
H -4.796586 2.529296 -0.384533
H -1.060735 1.228760 -0.849323
H 4.397725 1.311593 1.688796
H 2.267161 3.143017 1.225394
H -2.775917 -3.579261 -0.925583
H 4.965678 -1.145672 1.214531
H -0.021409 3.243533 0.185031


