%chk=000153311.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153311

0 1
 O    4.795000     -0.5065000     -0.7208000    
 O  -0.3627000      -1.030800       1.051700    
 O  -0.9948000      -2.543500     -0.5656000    
 O   -3.652100      -3.142700     -0.2061000    
 N    2.763600       1.176100      3.3199999E-02
 C    3.440300     -0.8293000      -1.049600    
 C    3.922200     -0.8754000      0.3513000    
 C    2.438800      0.2976000      -1.113900    
 C    3.195100      0.2257000       1.083700    
 C    1.027400     -0.2333000     -0.7832000    
 C    1.868000     -0.3126000       1.660600    
 C   0.9777000     -0.9671000      0.5785000    
 C    3.733700       2.219900     -0.2664000    
 C   -1.263200      -1.643400      0.2198000    
 C   -2.647700      -1.031800      0.4152000    
 C   -3.676200      -1.744100     -0.4749000    
 C   -2.619400      0.4697000      0.1780000    
 C   -2.362800       1.309900       1.243100    
 C   -2.851600      0.9500000      -1.095400    
 C   -2.336900       2.687600       1.025700    
 C   -2.825800       2.327700      -1.312700    
 C   -2.568500       3.196400     -0.2522000    
 H    3.219200      -1.728400      -1.600000    
 H    4.068200      -1.809300      0.8675000    
 H    2.444400      0.8195000      -2.076200    
 H    3.801800      0.6900000       1.867800    
 H   0.3166000      0.6032000     -0.7837000    
 H   0.7020000     -0.9097000      -1.582700    
 H    2.066900      -1.050500       2.448200    
 H    1.316000      0.5027000       2.148000    
 H    1.336800      -1.996300      0.4403000    
 H    3.905400       2.835700      0.6233000    
 H    3.334300       2.890100      -1.035600    
 H    4.704400       1.856500     -0.6125000    
 H   -2.926400      -1.240700       1.457800    
 H   -3.454500      -1.654400      -1.541400    
 H   -4.691300      -1.371600     -0.3000000    
 H   -2.182000      0.9235000       2.241600    
 H   -3.026800      0.3129000      -1.953500    
 H   -3.886000      -3.264100      0.7299000    
 H   -2.135800       3.363900       1.851300    
 H   -2.999200       2.724300      -2.308900    
 H   -2.546500       4.268900     -0.4218000    


%chk=000153311-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153311

0 1
O 5.097760 -1.101451 -1.112544
O -0.111279 -0.366154 0.737762
O -1.064814 -0.994380 -1.298266
O -2.672251 -2.782587 1.210324
N 3.846162 0.646522 0.562215
C 3.674221 -0.693051 -1.434901
C 3.939166 -1.610564 -0.279606
C 3.251425 0.657421 -0.808187
C 3.664778 -0.772138 0.992664
C 1.704933 0.653034 -0.630568
C 2.165015 -0.937452 1.379145
C 1.262357 -0.599738 0.170270
C 5.192754 1.242250 0.726571
C -1.187480 -0.607380 -0.112595
C -2.512170 -0.351458 0.605931
C -3.361319 -1.656861 0.571336
C -3.293529 0.813081 -0.010929
C -3.804709 1.836436 0.826633
C -3.564637 0.863619 -1.403266
C -4.576017 2.890983 0.287802
C -4.334424 1.918553 -1.941220
C -4.845000 2.934032 -1.099361
H 3.295677 -1.027593 -2.406751
H 3.777050 -2.693658 -0.309926
H 3.589664 1.540084 -1.375728
H 4.327900 -1.013546 1.839704
H 1.430815 1.560848 -0.065665
H 1.181370 0.669940 -1.603967
H 1.945178 -1.963400 1.730443
H 1.951032 -0.234777 2.202394
H 1.175810 -1.464207 -0.513123
H 5.459215 1.218421 1.799262
H 5.145724 2.304368 0.423723
H 5.989386 0.735933 0.145451
H -2.276247 -0.108170 1.658171
H -3.516711 -1.975753 -0.471456
H -4.345682 -1.457197 1.042462
H -3.594083 1.811077 1.903138
H -3.153172 0.089629 -2.060346
H -2.547532 -2.585103 2.173078
H -4.962182 3.676487 0.947118
H -4.534421 1.949144 -3.018226
H -5.442135 3.751053 -1.519566


