%chk=000032302.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032302

0 1
 I   4.4700000E-02  -1.905600       1.352300    
 I    3.292500       2.978100     -0.4288000    
 I   -2.667200       3.213300     -0.5052000    
 O   -2.222200      0.2066000      0.5843000    
 O   -2.723900      -2.763200      -1.206700    
 O    2.704400     -0.8929000      -1.516000    
 O   -3.167800      -2.383800      0.9917000    
 N    2.592100     -2.2200000E-02  0.6616000    
 C   -2.796100     -0.5026000     -0.5097000    
 C   -4.133900      0.1382000     -0.8832000    
 C    1.368400      0.7081000      0.3989000    
 C   -1.005100      0.7898000      0.3721000    
 C   0.1694000      8.2300000E-02  0.6278000    
 C    1.472500       1.993800     -6.8599999E-02
 C  -0.9408000       2.099400     -0.1039000    
 C    3.166400     -0.7890000     -0.3768000    
 C   -5.142500      0.1658000      0.2598000    
 C   0.2980000       2.701400     -0.3243000    
 C    4.429900      -1.563200     -1.2000000E-02
 C    3.195800      5.9099998E-02   2.000900    
 C   -2.931900      -1.962100     -0.1315000    
 C    4.997200      -2.351400      -1.182800    
 H   -2.131300     -0.4501000      -1.384300    
 H   -4.580500     -0.4859000      -1.670900    
 H   -4.048700       1.108300      -1.353200    
 H   -6.076900      0.6244000     -8.0200002E-02
 H   -4.772300      0.7505000       1.107100    
 H   -5.382300     -0.8416000      0.6123000    
 H   0.3467000       3.723000     -0.6957000    
 H    4.195300      -2.257700      0.8013000    
 H    5.189900     -0.8566000      0.3364000    
 H    4.203500      0.4754000       1.917900    
 H    3.258900     -0.9432000       2.433000    
 H    2.594200      0.6972000       2.655200    
 H    5.902800      -2.885100     -0.8785000    
 H    5.254500      -1.688400      -2.015400    
 H    4.273900      -3.087500      -1.548900    
 H   -2.794400      -3.713500     -0.9740000    


%chk=000032302-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032302

0 1
I 0.213149 -1.960049 1.319504
I 3.310465 3.174238 -0.044594
I -2.770291 3.361071 0.301804
O -2.272720 0.178656 0.741778
O -3.442520 -3.068821 -0.459293
O 2.472795 -0.716628 -1.531693
O -3.679102 -2.072816 1.631771
N 2.699294 0.026681 0.660486
C -2.691779 -0.813364 -0.289834
C -3.716438 -0.180261 -1.264946
C 1.460995 0.747090 0.543356
C -1.027418 0.794152 0.570985
C 0.207950 0.097449 0.715213
C 1.458926 2.141071 0.279687
C -0.972503 2.200817 0.359413
C 3.144298 -0.701441 -0.460227
C -5.050326 0.213587 -0.601435
C 0.257450 2.874255 0.216430
C 4.476349 -1.440310 -0.296913
C 3.409940 0.056221 1.959254
C -3.302207 -2.004971 0.449982
C 4.804562 -2.315506 -1.519069
H -1.809858 -1.162343 -0.858341
H -3.886911 -0.911757 -2.077858
H -3.234227 0.706590 -1.717250
H -5.692954 0.748543 -1.322999
H -4.873829 0.874873 0.263596
H -5.606595 -0.673262 -0.246838
H 0.274922 3.952013 0.042825
H 4.449103 -2.053911 0.625500
H 5.277520 -0.688171 -0.139851
H 4.489996 0.224799 1.814128
H 3.260623 -0.883447 2.525043
H 3.019051 0.891006 2.562723
H 5.780391 -2.815371 -1.383217
H 4.840329 -1.706821 -2.437625
H 4.030256 -3.086683 -1.670300
H -3.875487 -3.838079 0.000809


