%chk=000127929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127929

0 1
 I    4.545800       3.368100      0.4783000    
 O   -3.514000     -0.2677000      0.7905000    
 O   -6.721400      -1.873300      0.2033000    
 N   0.6277000     -0.9920000      -1.188500    
 N   -3.546900       2.423300      4.6300001E-02
 N    6.069100      0.6844000       1.632800    
 N    7.163300      0.8343000       1.048800    
 N    8.167000      0.9730000      0.5234000    
 C   -1.356300     -0.5722000     -0.2611000    
 C  -0.3033000     -2.4999999E-03 -0.9773000    
 C   -1.029900      -1.948600     -4.4000000E-02
 C   0.2129000      -2.179900     -0.6341000    
 C   -2.454100      0.2427000      8.6999997E-02
 C    1.876800     -0.8083000      -1.900200    
 C   -2.456300       1.589600     -0.2928000    
 C  -0.2913000       1.342500      -1.364200    
 C   -1.389800       2.129200      -1.007700    
 C   -1.680000      -3.021000      0.6021000    
 C   0.8403000      -3.430900     -0.6117000    
 C    2.985200     -0.3996000     -0.9680000    
 C   -3.605500       3.804200     -0.3132000    
 C   -1.064900      -4.277600      0.6332000    
 C   0.1766000      -4.477300      3.4400001E-02
 C   -4.583500     -0.8148000      2.8700000E-02
 C    3.214600      0.9477000     -0.7243000    
 C    3.762800      -1.377300     -0.3627000    
 C   -2.750800       4.635600      0.6391000    
 C   -5.057300       4.272100     -0.2968000    
 C   -5.666700      -1.307400      0.9798000    
 C    4.241200       1.324500      0.1414000    
 C    4.789500      -1.000600      0.5031000    
 C    5.028600      0.3504000      0.7552000    
 C   -6.229400     -0.1704000       1.819400    
 H    1.728900     -6.2799998E-02  -2.690200    
 H    2.124900      -1.737100      -2.426900    
 H   0.5157000       1.774200      -1.943700    
 H   -1.352300       3.163700      -1.332600    
 H   -2.645500      -2.887900       1.080600    
 H    1.793200      -3.613500      -1.093100    
 H   -4.259100       2.029100      0.6514000    
 H   -3.269200       3.964800      -1.344400    
 H   -1.563000      -5.105800       1.130200    
 H   0.6346000      -5.462700      6.4599998E-02
 H   -4.225900      -1.648000     -0.5889000    
 H   -4.993000     -6.1299998E-02 -0.6565000    
 H    2.614700       1.704400      -1.218400    
 H    3.608900      -2.432100     -0.5593000    
 H   -2.801100       5.697100      0.3733000    
 H   -3.103400       4.533500       1.672200    
 H   -1.696900       4.344000      0.6290000    
 H   -5.665300       3.679800     -0.9898000    
 H   -5.133500       5.323500     -0.5933000    
 H   -5.499400       4.167900      0.7006000    
 H   -5.263100      -2.083500       1.639700    
 H    5.398300      -1.768800      0.9730000    
 H   -6.660000      0.6111000       1.183400    
 H   -5.464800      0.2802000       2.459100    
 H   -7.040600     -0.5339000       2.459700    
 H   -7.396400      -2.201600      0.8216000    


%chk=000127929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127929

0 1
I 6.675931 1.915011 -2.121393
O -3.623988 -0.307834 0.780160
O -6.745018 -1.969071 -0.224240
N 0.645844 -1.148371 -1.219366
N -3.507967 2.375654 0.201263
N 6.183406 1.195952 1.344299
N 7.309518 1.713106 1.089437
N 8.388163 2.203940 1.159043
C -1.409447 -0.662375 -0.263150
C -0.274672 -0.106022 -0.945035
C -1.152904 -2.088298 -0.098950
C 0.128343 -2.352559 -0.703907
C -2.472596 0.186801 0.099768
C 1.909008 -0.981261 -1.928603
C -2.416243 1.586882 -0.176785
C -0.195291 1.267483 -1.241678
C -1.262198 2.103961 -0.847101
C -1.866995 -3.147760 0.508805
C 0.688072 -3.648933 -0.715162
C 3.032737 -0.363890 -1.089046
C -3.556113 3.844335 0.120843
C -1.312574 -4.445482 0.497733
C -0.050255 -4.690410 -0.111191
C -4.660689 -0.857015 -0.135032
C 4.088568 0.322957 -1.730768
C 3.063326 -0.490575 0.320532
C -2.676486 4.531268 1.200841
C -5.026804 4.298387 0.228373
C -5.804950 -1.370113 0.745542
C 5.167137 0.864994 -0.997186
C 4.130835 0.044375 1.055787
C 5.210127 0.725422 0.421313
C -6.466870 -0.265011 1.582517
H 1.742625 -0.363230 -2.832805
H 2.227776 -1.976998 -2.290643
H 0.676090 1.698305 -1.744746
H -1.199868 3.174103 -1.065494
H -2.828109 -2.953323 0.994846
H 1.666471 -3.853332 -1.163345
H -4.181760 1.909958 0.814285
H -3.179185 4.139733 -0.879807
H -1.854375 -5.274182 0.966024
H 0.362734 -5.705498 -0.106461
H -4.238715 -1.687149 -0.731087
H -5.020105 -0.063515 -0.819300
H 4.072114 0.444192 -2.819689
H 2.246173 -1.001326 0.838774
H -2.649035 5.626452 1.048300
H -3.083324 4.332379 2.209845
H -1.640204 4.151131 1.170986
H -5.637300 3.853095 -0.576940
H -5.100588 5.397789 0.158890
H -5.457728 3.995104 1.202860
H -5.403161 -2.154992 1.422967
H 4.169745 -0.046722 2.145387
H -6.891536 0.515376 0.924139
H -5.722292 0.195394 2.256188
H -7.283104 -0.673320 2.208730
H -7.545595 -2.290470 0.261930


