%chk=000032301.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032301

0 1
 I  -0.2532000       2.148300     -0.8897000    
 I   -3.405300      -2.642000       1.271800    
 I    2.248800      -3.380400     -0.4779000    
 O    1.874900     -0.2270000      -1.068000    
 O    3.178400       2.448500      0.7991000    
 O   -3.870500       1.917300       1.720100    
 O    2.939000       2.317600      -1.452000    
 N   -2.697700      0.4071000      0.3382000    
 C    4.121200     -0.5269000     -0.2348000    
 C    5.400000      0.1668000      0.2563000    
 C    2.819100      0.2764000     -0.1372000    
 C   -3.619200      0.6243000     -0.8160000    
 C   -5.061500      0.2543000     -0.4867000    
 C    6.682900     -0.6157000     -1.7000001E-02
 C   -1.583500     -0.4223000      0.1494000    
 C   -6.004800      0.4495000      -1.675900    
 C   0.7063000     -0.7317000     -0.5562000    
 C  -0.3990000      9.8899998E-02 -0.3711000    
 C   -1.662800      -1.773900      0.4849000    
 C    7.906600      0.1292000      0.4960000    
 C   -2.940500       1.123400       1.556800    
 C    2.994400       1.766700     -0.3600000    
 C   0.6270000      -2.083300     -0.2207000    
 C   -7.422600      1.6300000E-02  -1.336900    
 C  -0.5575000      -2.604400      0.2998000    
 C   -2.020700      0.8627000       2.727500    
 H    4.035700      -1.425500      0.3767000    
 H    4.273400     -0.8490000      -1.272700    
 H    5.498700       1.141200     -0.2363000    
 H    5.308200      0.3622000       1.332000    
 H    2.432500      0.1637000      0.8872000    
 H   -3.263000      4.9199998E-02  -1.678900    
 H   -3.573300       1.689600      -1.070600    
 H   -5.124400     -0.7916000     -0.1868000    
 H   -5.445900      0.8387000      0.3539000    
 H    6.627400      -1.597600      0.4669000    
 H    6.790200     -0.7897000      -1.093800    
 H   -6.009000       1.503600      -1.976200    
 H   -5.647200     -0.1322000      -2.533500    
 H    8.007200       1.103200      6.5000001E-03
 H    8.813800     -0.4483000      0.2927000    
 H    7.842300      0.2921000       1.576500    
 H   -7.821300      0.5986000     -0.5000000    
 H   -8.080400      0.1659000      -2.198800    
 H   -7.455300      -1.043500      -1.065000    
 H  -0.6183000      -3.659000      0.5608000    
 H  -0.9768000       1.015300       2.444600    
 H   -2.159700     -0.1529000       3.102100    
 H   -2.253900       1.562500       3.536200    
 H    3.271800       3.412800      0.6454000    


%chk=000032301-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032301

0 1
I -0.243074 2.292114 -0.800146
I -2.792867 -3.049599 1.059204
I 2.139006 -3.136747 -2.487026
O 1.819724 0.056718 -2.077370
O 3.325436 2.555161 -2.818321
O -3.208045 1.381647 2.454236
O 4.815002 0.776253 -2.932975
N -2.348100 0.256121 0.617026
C 3.718428 -0.253200 -0.412309
C 4.719635 0.487588 0.506796
C 2.939949 0.717662 -1.306162
C -3.447276 0.813533 -0.232660
C -4.806527 0.101379 -0.065983
C 5.468956 -0.478166 1.453773
C -1.304468 -0.505933 -0.004951
C -5.915896 0.824965 -0.863668
C 0.802003 -0.571539 -1.350696
C -0.235220 0.149072 -0.693139
C -1.300205 -1.930324 -0.001500
C 6.465587 0.250237 2.380268
C -2.299547 0.645721 1.969595
C 3.807057 1.306814 -2.425609
C 0.719941 -1.991856 -1.370344
C -7.286440 0.126920 -0.729512
C -0.314984 -2.666213 -0.693204
C -1.113653 0.154884 2.790969
H 2.997748 -0.814331 0.214634
H 4.254396 -0.983164 -1.044029
H 5.460830 1.033471 -0.110539
H 4.183589 1.248053 1.112998
H 2.511776 1.548406 -0.714753
H -3.113901 0.764750 -1.285594
H -3.560667 1.878275 0.044166
H -4.730072 -0.949309 -0.404424
H -5.071003 0.084913 1.007202
H 4.730486 -1.035241 2.065830
H 6.007296 -1.234491 0.848251
H -5.997346 1.871821 -0.507335
H -5.631192 0.877602 -1.935128
H 7.234106 0.786876 1.792913
H 6.986462 -0.459406 3.048465
H 5.947795 0.994052 3.015017
H -7.607146 0.089235 0.328328
H -8.068584 0.658535 -1.301966
H -7.240312 -0.913140 -1.103944
H -0.352986 -3.757107 -0.704791
H -0.152293 0.439968 2.327198
H -1.127909 -0.944783 2.897629
H -1.183082 0.609770 3.789845
H 3.870087 2.901032 -3.577564


