%chk=000137380.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137380

0 1
 O   0.8831000      0.2442000      0.2674000    
 O   -3.856200      -1.620900      -1.678100    
 O   -6.726600       1.425800     -0.2411000    
 O   -4.795700       1.686100      -1.475600    
 N   -3.817100      -2.756900      0.3646000    
 N    7.162100      0.3127000     -0.1233000    
 N    6.677500      -1.801700      -1.174900    
 N    8.834500      -1.089100     -0.9559000    
 C   -3.246500      0.5179000      0.5915000    
 C   -2.665600     -0.6074000      6.3000000E-03
 C   -4.729400      0.6426000      0.7213000    
 C   -1.278000     -0.6995000     -0.1029000    
 C  -0.4710000      0.3336000      0.3737000    
 C   -2.439100       1.550800       1.068400    
 C   -1.051400       1.458600      0.9594000    
 C   -3.485400      -1.699600     -0.5004000    
 C    1.647900       1.336200      0.7754000    
 C    3.104600       1.065900      0.5389000    
 C   -5.384100       1.311600     -0.4703000    
 C    3.846200      0.3920000       1.503000    
 C    3.700000       1.492100     -0.6431000    
 C   -3.353500      -2.803600       1.749600    
 C   -4.645100      -3.876500     -6.1400000E-02
 C    5.200400      0.1404000       1.282000    
 C    5.054400       1.240700     -0.8640000    
 C    5.804400      0.5648000      9.8499998E-02
 C   -7.480700       2.042300      -1.289900    
 C    7.510500     -0.8029000     -0.7191000    
 H   -5.201100     -0.3331000      0.8777000    
 H   -4.964300       1.242400       1.610300    
 H  -0.8192000      -1.574100     -0.5583000    
 H   -2.878100       2.434000       1.525200    
 H  -0.4884000       2.297700       1.353200    
 H    1.483600       1.457600       1.854500    
 H    1.383700       2.271200      0.2635000    
 H    3.385500      5.4800000E-02   2.427400    
 H    3.125200       2.016900      -1.401100    
 H   -2.734400      -1.956300       2.042700    
 H   -2.771900      -3.720400       1.887200    
 H   -4.229700      -2.833900       2.404600    
 H   -4.948500      -3.765000      -1.105300    
 H   -5.538100      -3.916000      0.5688000    
 H   -4.073000      -4.802100      4.8799999E-02
 H    5.776300     -0.3871000       2.037900    
 H    5.516000       1.575100      -1.789500    
 H   -7.399900       1.455200      -2.209600    
 H   -8.529500       2.071000     -0.9828000    
 H   -7.134300       3.067300      -1.453100    
 H    5.669500      -1.749300      -1.079000    
 H    7.052000      -2.630400      -1.624300    
 H    9.117400      -1.948100      -1.414600    
 H    9.567400     -0.4466000     -0.6757000    


%chk=000137380-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137380

0 1
O 0.733505 0.379810 0.578893
O -4.671271 -1.178375 -0.959483
O -6.885269 1.157816 -0.537708
O -5.002836 2.324086 -1.258258
N -3.555932 -2.721172 0.383600
N 7.089268 -0.335050 0.089651
N 6.754056 -1.663127 -1.917109
N 8.875709 -1.431365 -0.930123
C -3.477811 0.916880 0.864698
C -2.893585 -0.312048 0.432624
C -4.982658 1.117135 0.918926
C -1.489654 -0.441202 0.353327
C -0.640180 0.634424 0.707104
C -2.612009 1.971691 1.225420
C -1.206407 1.853710 1.154111
C -3.773778 -1.426267 -0.086129
C 1.666188 1.500736 0.907520
C 3.075263 1.025027 0.677042
C -5.565065 1.596010 -0.413304
C 3.835559 0.458632 1.734022
C 3.680488 1.135495 -0.599134
C -2.739863 -3.077405 1.555667
C -4.305475 -3.830781 -0.230540
C 5.148836 0.002085 1.523450
C 4.992494 0.673462 -0.826103
C 5.752835 0.082798 0.233411
C -7.550770 1.513253 -1.811809
C 7.522343 -1.095600 -0.895205
H -5.522353 0.200535 1.205332
H -5.226870 1.890416 1.673744
H -1.027936 -1.366338 -0.006474
H -3.047119 2.921201 1.557990
H -0.580189 2.704771 1.435259
H 1.506820 1.790944 1.965657
H 1.415039 2.362457 0.256710
H 3.388424 0.374012 2.732414
H 3.118000 1.590066 -1.424289
H -2.383693 -2.174306 2.070431
H -1.861223 -3.686861 1.266268
H -3.350305 -3.670272 2.265003
H -4.855542 -3.440249 -1.099703
H -5.030129 -4.263268 0.487084
H -3.609834 -4.628692 -0.552814
H 5.739343 -0.420740 2.342259
H 5.460238 0.822369 -1.807245
H -7.016359 1.041353 -2.653045
H -8.571194 1.115354 -1.717767
H -7.559343 2.607631 -1.953538
H 5.754696 -1.464971 -1.933643
H 7.079723 -2.498640 -2.398967
H 9.326952 -1.704934 -1.799428
H 9.445272 -1.051496 -0.177297


