%chk=000030828.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030828

0 1
 I   0.4819000       2.436200     -0.7460000    
 I    3.066400      -2.874300      0.8750000    
 I   -2.659300      -2.808000     -0.7625000    
 O    3.833000      0.2359000      -1.868500    
 O   -3.183100     -0.9006000       1.555800    
 O   -4.899300     -0.4740000      0.1351000    
 N    2.728600      0.3217000      0.2461000    
 C    3.102600      0.8105000       1.559100    
 C    4.222100       1.791600       1.280300    
 C    4.894700       1.216900      4.9600001E-02
 C   -2.912700      0.9306000      2.9200001E-02
 C   -2.038300      0.4053000      -1.124600    
 C    1.499300     -0.3622000      9.9999998E-03
 C    3.758600      0.5458000     -0.6883000    
 C  -0.8152000     -0.3435000     -0.6515000    
 C   0.3749000      0.3384000     -0.4266000    
 C   -3.796200       2.094100     -0.4574000    
 C    1.425400      -1.739500      0.2185000    
 C  -0.8972000      -1.715700     -0.4460000    
 C   0.2271000      -2.416100     -9.4999997E-03
 C   -3.784200     -0.1998000      0.5607000    
 C   -4.629300       2.706600      0.6617000    
 H    3.460700     -2.2000000E-02   2.171400    
 H    2.254100       1.286600       2.059800    
 H    4.904900       1.909300       2.126300    
 H    3.803900       2.778000       1.044800    
 H    5.638400      0.4584000      0.3138000    
 H    5.355000       1.995200     -0.5639000    
 H   -2.296400       1.301500      0.8581000    
 H   -1.756700       1.221000      -1.797200    
 H   -2.639100     -0.2033000      -1.809900    
 H   -4.466300       1.759300      -1.258800    
 H   -3.162200       2.881700     -0.8821000    
 H   0.1692000      -3.490300      0.1537000    
 H   -5.356600       1.997700       1.067300    
 H   -5.185400       3.570400      0.2829000    
 H   -3.990000       3.051200       1.480900    
 H   -3.748600      -1.633600       1.880000    


%chk=000030828-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030828

0 1
I 0.442676 2.411296 -0.610278
I 3.226728 -2.917146 0.635388
I -2.532149 -3.072621 -1.224692
O 3.794676 0.106852 -1.794102
O -2.802962 -0.563782 1.845130
O -4.800381 -0.482997 0.667489
N 2.695351 0.318883 0.291560
C 2.952376 0.849519 1.655031
C 4.183276 1.776481 1.443897
C 4.879989 1.218397 0.177809
C -2.924191 1.006636 0.009476
C -2.138937 0.339549 -1.178860
C 1.514402 -0.406541 -0.037597
C 3.771726 0.494526 -0.599768
C -0.888167 -0.419351 -0.773532
C 0.323655 0.257432 -0.445758
C -3.933255 2.046818 -0.535521
C 1.488778 -1.824561 0.015255
C -0.829524 -1.841747 -0.716998
C 0.331978 -2.544834 -0.335273
C -3.634924 -0.060632 0.832314
C -4.652956 2.844368 0.572156
H 3.169068 0.018174 2.354878
H 2.069727 1.399126 2.026497
H 4.839788 1.785671 2.329133
H 3.840472 2.809728 1.260725
H 5.662681 0.475552 0.423529
H 5.341950 1.990683 -0.457060
H -2.195920 1.508653 0.672022
H -1.858149 1.160129 -1.865027
H -2.828885 -0.321595 -1.731267
H -4.680839 1.528186 -1.165539
H -3.375751 2.744070 -1.191656
H 0.335065 -3.636020 -0.309677
H -5.266612 2.180436 1.206412
H -5.327115 3.601224 0.132504
H -3.928835 3.373507 1.220414
H -3.280109 -1.293068 2.328286


