%chk=000055476.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055476

0 1
 I   0.7771000      -2.550700      0.5093000    
 I  -0.1621000       3.476700     -2.1299999E-02
 I    5.410900       1.390300     -0.2097000    
 O   -1.430900     -2.0199999E-02  -1.890100    
 O    4.065700      -1.977400      -1.049400    
 O    4.353000      -1.904300       1.204200    
 N  -0.7573000      0.2854000      0.3366000    
 C   0.6368000      0.5056000      0.2161000    
 C    1.512400     -0.5699000      0.2605000    
 C    2.883800     -0.3439000      0.1409000    
 C    1.103900       1.802500      5.4699998E-02
 C    3.365100      0.9552000     -2.1600001E-02
 C   -3.072000     -0.1202000     -0.2445000    
 C    2.475200       2.028200     -6.4599998E-02
 C   -1.693600      4.1999999E-02 -0.6781000    
 C   -3.956000     -0.8875000      -1.003200    
 C   -3.510400      0.4912000      0.9302000    
 C    3.826300      -1.462400      0.1840000    
 C   -5.278400      -1.043400     -0.5873000    
 C   -4.832700      0.3352000       1.346000    
 C   -5.716700     -0.4322000      0.5872000    
 H   -1.043900      9.0700001E-02   1.293400    
 H    2.850500       3.041700     -0.1915000    
 H   -3.633700      -1.376800      -1.918700    
 H   -2.863200       1.119500       1.535300    
 H   -5.966500      -1.641600      -1.177400    
 H   -5.176400      0.8162000       2.257100    
 H   -6.746500     -0.5525000      0.9104000    
 H    4.697400      -2.727300      -1.016400    


%chk=000055476-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055476

0 1
I 0.899739 -2.503849 0.990951
I -0.203068 3.436717 -0.368870
I 5.470596 1.320271 -0.682980
O -1.438756 0.531047 -1.816423
O 4.263858 -2.172713 -0.705561
O 4.493544 -1.673001 1.555367
N -0.755766 0.228455 0.401168
C 0.623610 0.471940 0.170137
C 1.587354 -0.559347 0.369552
C 2.971580 -0.352260 0.156722
C 1.103850 1.748881 -0.237470
C 3.395776 0.919291 -0.302297
C -3.139859 0.002679 -0.157878
C 2.472690 1.965479 -0.499161
C -1.735684 0.281722 -0.614789
C -4.071269 -0.431051 -1.136339
C -3.569778 0.183578 1.183531
C 3.973910 -1.442217 0.444685
C -5.406307 -0.703814 -0.775574
C -4.908715 -0.086079 1.541725
C -5.827420 -0.536540 0.565555
H -1.006103 -0.245430 1.273077
H 2.817511 2.947867 -0.827213
H -3.725681 -0.539447 -2.169596
H -2.883938 0.577843 1.942977
H -6.118319 -1.043557 -1.535310
H -5.237514 0.065826 2.575436
H -6.865778 -0.745528 0.845653
H 4.937736 -2.876664 -0.494975


