%chk=000031111.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031111

0 1
 I  -0.4566000     -0.9750000       2.322100    
 I   -3.878400       2.203500      -1.645500    
 I    1.985300       3.244100      -1.315400    
 O    1.688500      0.9309000      0.9191000    
 O    2.664300      -2.431900      0.6321000    
 O   -4.430500      -1.820200      0.3783000    
 O    2.783100      -1.107300       2.468900    
 N   -3.052600      6.3000001E-02  0.6793000    
 C    3.777400      0.5403000     -0.2269000    
 C    4.958400     -0.4201000     -0.4288000    
 C    2.471100     -7.1699999E-02  0.2919000    
 C    6.273400      0.2691000     -0.7875000    
 C   -1.917100      0.7621000      0.2468000    
 C   0.4572000       1.190700      0.3725000    
 C   -3.876500      0.5809000       1.811600    
 C  -0.6689000      0.4917000      0.8075000    
 C   -2.554700      -1.682600      -1.090100    
 C   -3.442200      -1.164500      3.9500002E-02
 C    7.396200     -0.7411000     -0.9730000    
 C    2.669500      -1.226400       1.255600    
 C   -2.039500       1.731400     -0.7488000    
 C   -3.068600      -2.991400      -1.691800    
 C   0.3349000       2.159900     -0.6230000    
 C  -0.9134000       2.430300      -1.183600    
 C   -4.976700       1.499800       1.322200    
 C   -2.183300      -3.465800      -2.832900    
 H    3.602500      0.9818000      -1.208400    
 H    4.093300       1.348200      0.4452000    
 H    5.127100     -0.9898000      0.4927000    
 H    4.697100      -1.146500      -1.208300    
 H    1.928700     -0.4845000     -0.5725000    
 H    6.550100      0.9767000      2.4000001E-03
 H    6.148900      0.8456000      -1.711300    
 H   -3.226400       1.103400       2.521700    
 H   -4.319500     -0.2752000       2.332000    
 H   -1.542700      -1.844100     -0.7076000    
 H   -2.508300     -0.9262000      -1.879600    
 H    7.566400      -1.312100     -5.4699998E-02
 H    8.327800     -0.2280000      -1.231400    
 H    7.161500      -1.445200      -1.777700    
 H   -4.091800      -2.856700      -2.062500    
 H   -3.109100      -3.767700     -0.9185000    
 H   -1.007600       3.187000      -1.959900    
 H   -4.598100       2.494000       1.080600    
 H   -5.561000       1.061300      0.5098000    
 H   -5.680900       1.663100       2.147900    
 H   -2.152000      -2.725700      -3.638900    
 H   -2.568200      -4.403000      -3.246900    
 H   -1.159500      -3.641700      -2.487600    
 H    2.774300      -3.172100       1.266300    


%chk=000031111-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031111

0 1
I -0.469251 -1.284722 2.301971
I -3.283008 2.484465 -1.749185
I 2.049239 4.089122 0.700976
O 1.647568 1.201352 2.091153
O 3.978675 0.476000 3.714678
O -3.840417 -1.970498 -0.640333
O 4.892775 1.445213 1.811764
N -2.773922 -0.137851 0.297311
C 2.905973 0.083541 0.158707
C 3.886273 -1.055323 -0.213268
C 2.731448 0.221038 1.673620
C 3.982469 -1.257996 -1.743361
C -1.679600 0.786703 0.338438
C 0.559372 1.426163 1.245476
C -3.778429 -0.121911 1.407815
C -0.537500 0.525511 1.156656
C -1.746843 -1.235184 -1.710805
C -2.869184 -1.159466 -0.670121
C 4.966134 -2.380656 -2.135210
C 3.979970 0.792937 2.357935
C -1.683952 2.004217 -0.400899
C -1.809092 -2.523590 -2.555276
C 0.477932 2.652011 0.529098
C -0.630273 2.937046 -0.292320
C -5.101917 0.581351 1.053553
C -0.676462 -2.578366 -3.601682
H 1.920796 -0.135238 -0.296963
H 3.269797 1.039712 -0.260083
H 4.893638 -0.826685 0.186525
H 3.556602 -2.004606 0.258936
H 2.484174 -0.750911 2.138684
H 4.296720 -0.305811 -2.216010
H 2.974073 -1.489341 -2.145522
H -3.300029 0.359429 2.279467
H -3.983018 -1.176914 1.662559
H -0.765574 -1.163651 -1.199817
H -1.812468 -0.348901 -2.375030
H 5.987566 -2.156019 -1.775305
H 5.015156 -2.507347 -3.231977
H 4.660301 -3.349280 -1.696663
H -2.795450 -2.584415 -3.049684
H -1.753049 -3.400789 -1.883809
H -0.668478 3.875300 -0.849145
H -4.957991 1.657075 0.856934
H -5.557197 0.114894 0.164484
H -5.807077 0.474346 1.899004
H -0.736338 -1.724791 -4.303769
H -0.730390 -3.507477 -4.197453
H 0.320367 -2.546398 -3.119526
H 4.762790 0.899008 4.160373


