%chk=000032293.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032293

0 1
 I   0.1777000       2.149300      -1.193900    
 I   -1.887500      -3.391500      0.2360000    
 I    3.996600      -2.413300      0.2808000    
 O   -1.813100     -0.2806000     -0.6263000    
 O   -2.702700       2.456900       1.363500    
 O   -3.070700       2.192400     -0.8656000    
 O    3.244600       1.500600       1.537200    
 N    2.935100      0.5508000     -0.5966000    
 C   -2.481300      0.2643000      0.5005000    
 C   -3.731500     -0.5652000      0.7984000    
 C  -0.5294000     -0.7234000     -0.4325000    
 C   -4.716100     -0.6319000     -0.3641000    
 C   0.5444000      0.1437000     -0.6148000    
 C    1.846900     -0.3146000     -0.4168000    
 C   -2.796000       1.719700      0.2282000    
 C  -0.3108000      -2.045200     -5.3900000E-02
 C    2.070500      -1.638100     -3.7500001E-02
 C   0.9917000      -2.503400      0.1440000    
 C    3.542900       1.374800      0.3540000    
 C    4.688600       2.154700     -0.2407000    
 H   -1.826700      0.2302000       1.383700    
 H   -4.262300     -6.1400000E-02   1.619400    
 H   -3.532200      -1.548800       1.200100    
 H   -5.589500      -1.226900     -7.7399999E-02
 H   -4.266100      -1.101400      -1.243900    
 H   -5.076000      0.3615000     -0.6472000    
 H    1.164800      -3.536000      0.4401000    
 H    3.236600      0.6520000      -1.563300    
 H   -2.889900       3.405800       1.199900    
 H    5.389200       1.474900     -0.7339000    
 H    5.218600       2.694000      0.5493000    
 H    4.303500       2.874200     -0.9685000    


%chk=000032293-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032293

0 1
I 0.382965 2.122972 -1.347732
I -1.993542 -3.508485 -0.734230
I 4.027989 -2.733481 -0.231124
O -1.830839 -0.278183 -0.846846
O -3.408179 2.718925 0.534375
O -3.525938 1.815151 -1.607865
O 2.394438 1.574427 1.431056
N 3.068149 0.408708 -0.482770
C -2.337605 0.613135 0.235832
C -3.226054 -0.185343 1.224005
C -0.528238 -0.764750 -0.709111
C -4.548649 -0.692060 0.615589
C 0.620998 0.079369 -0.751621
C 1.932760 -0.443705 -0.561854
C -3.128384 1.737693 -0.433558
C -0.326933 -2.170773 -0.648507
C 2.079984 -1.856008 -0.482571
C 0.969706 -2.717281 -0.563692
C 3.253212 1.368318 0.533236
C 4.553953 2.152829 0.420119
H -1.486470 1.059042 0.783382
H -3.428199 0.477407 2.086916
H -2.620875 -1.032811 1.597428
H -5.078586 -1.337374 1.338514
H -4.363784 -1.278308 -0.300235
H -5.221897 0.145263 0.355588
H 1.105516 -3.799339 -0.525730
H 3.868799 0.188391 -1.080551
H -3.947968 3.444663 0.118838
H 5.366672 1.581101 -0.061773
H 4.872308 2.460662 1.427631
H 4.374590 3.067945 -0.174540


