%chk=000049785.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049785

0 1
 I  -0.9260000      -1.828800       1.463200    
 I   -1.536600       4.002400     -0.2418000    
 I    3.982000       1.389400     -0.2130000    
 O   -2.785500       1.300100       1.890500    
 O    3.079800      -1.464200      -1.314700    
 O    1.709400       3.703900      -1.937300    
 O    2.089500       4.531900      0.1451000    
 N   -3.105500      0.6450000     -0.3116000    
 N    2.126300      -1.045100      0.7928000    
 C   -4.981300     -0.8586000      0.1572000    
 C   -4.492200      -1.911500     -0.8374000    
 C   -4.537900      0.5404000     -0.2531000    
 C   -4.969200      -3.309900     -0.4466000    
 C  -0.8701000       1.108300      0.5517000    
 C   -4.456800      -4.364100      -1.414900    
 C   -2.335100       1.022100      0.7822000    
 C    1.313700      7.4600004E-02  0.5626000    
 C  -6.1700001E-02 -5.2999998E-03  0.7806000    
 C  -0.3028000       2.301800      0.1051000    
 C    1.072600       2.381600     -0.1130000    
 C    3.658600      -2.888700      0.5428000    
 C    1.880800       1.268000      0.1157000    
 C    4.568900      -3.674200     -0.3986000    
 C    2.941900      -1.720300     -0.1232000    
 C    5.269200      -4.832500      0.2979000    
 C    1.668000       3.633900     -0.5821000    
 H   -4.600700      -1.092900       1.158700    
 H   -6.075900     -0.8830000      0.2133000    
 H   -3.398700      -1.909900     -0.8957000    
 H   -4.864700      -1.668600      -1.840400    
 H   -4.926300       1.276200      0.4594000    
 H   -4.926500      0.7939000      -1.245000    
 H   -6.064900      -3.338400     -0.4285000    
 H   -4.621200      -3.553100      0.5641000    
 H   -2.645000      0.4396000      -1.193800    
 H   -4.810300      -4.167400      -2.432100    
 H   -3.362300      -4.384900      -1.429100    
 H   -4.811300      -5.356000      -1.117700    
 H    4.246400      -2.491200       1.379100    
 H    2.897900      -3.560000      0.9596000    
 H    1.829300      -1.613200       1.584300    
 H    3.982500      -4.063000      -1.239800    
 H    5.323600      -3.003200     -0.8264000    
 H    5.894700      -4.472600       1.120900    
 H    5.910500      -5.368400     -0.4087000    
 H    4.541100      -5.542000      0.7036000    
 H    2.109300       4.543900      -2.248400    


%chk=000049785-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049785

0 1
I -0.711468 -1.716381 1.617888
I -1.568681 4.055258 -0.406646
I 4.116271 1.768842 0.093701
O -2.825105 1.363524 1.942867
O 2.840250 -1.373722 -1.186632
O 1.810455 3.911143 -1.956314
O 2.045234 4.844990 0.162695
N -3.026828 0.627571 -0.265747
N 2.344450 -0.825486 1.026636
C -4.892915 -1.026875 0.112730
C -4.446756 -2.056934 -0.948199
C -4.489010 0.429279 -0.217056
C -4.909970 -3.495583 -0.623328
C -0.812338 1.208581 0.572528
C -4.441984 -4.528604 -1.670848
C -2.310995 1.073440 0.822571
C 1.481526 0.265592 0.716924
C 0.073934 0.149604 0.880954
C -0.260949 2.416094 0.077381
C 1.136071 2.576576 -0.091167
C 3.886654 -2.706189 0.601328
C 1.997415 1.503299 0.243757
C 3.868284 -3.979207 -0.275240
C 2.985572 -1.603194 0.044016
C 4.910989 -5.018151 0.185263
C 1.705926 3.891891 -0.566381
H -4.469885 -1.294913 1.100218
H -5.996667 -1.058158 0.217548
H -3.340140 -2.049346 -1.030731
H -4.843899 -1.763077 -1.943436
H -4.877389 1.112743 0.557871
H -4.909712 0.734752 -1.194178
H -6.016481 -3.514232 -0.549232
H -4.527120 -3.781510 0.377774
H -2.520268 0.393644 -1.121917
H -4.835483 -4.282390 -2.675271
H -3.337816 -4.549746 -1.739963
H -4.784383 -5.548042 -1.415148
H 4.918713 -2.298517 0.628949
H 3.615241 -2.951676 1.647570
H 2.398078 -1.135788 1.999963
H 2.854474 -4.423987 -0.251981
H 4.054147 -3.680724 -1.322680
H 5.935623 -4.604029 0.130673
H 4.878974 -5.920460 -0.451650
H 4.732033 -5.337290 1.229649
H 2.193427 4.783389 -2.250210


