%chk=000114171.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114171

0 1
 O    5.158100       1.124200     -0.3795000    
 N   -2.003200      4.7899999E-02  -1.381100    
 C   0.7490000      -1.168400     -0.5560000    
 C  -0.5151000      -1.004700      0.2906000    
 C   -1.068100      0.3203000     -0.2926000    
 C   0.2167000      -1.208100      -2.070200    
 C    1.421000      -2.510700     -0.1791000    
 C  -0.2866000      -1.127100       1.808700    
 C    1.636900      0.1038000     -0.2412000    
 C  -0.4842000       1.502600      0.4678000    
 C   -1.378900      -1.041500      -2.225800    
 C    1.662300      -2.664700       1.326700    
 C   0.3807000      -2.463900       2.133900    
 C    1.059700       1.323000      0.3086000    
 C   -3.340200     -0.2868000     -0.9205000    
 C    3.016500      7.8000002E-02 -0.4829000    
 C    1.884700       2.401900      0.6434000    
 C   -3.924600      0.8655000     -0.1054000    
 C    3.815700       1.175200     -0.1496000    
 C    3.257300       2.321200      0.4190000    
 C   -5.341100      0.5424000      0.3715000    
 C   -5.916600       1.670000       1.213600    
 H   -1.201900      -1.837200      8.2599998E-02
 H  -0.4458000      0.6748000      -1.127400    
 H   0.4948000      -2.157600      -2.543700    
 H   0.7069000     -0.4201000      -2.657300    
 H    2.363200      -2.652800     -0.7189000    
 H   0.7702000      -3.336900     -0.4978000    
 H   -1.249600      -1.061100       2.328700    
 H   0.3423000     -0.3319000       2.218100    
 H  -0.7794000       1.522700       1.520700    
 H  -0.7933000       2.450900      9.9999998E-03
 H   -1.605500     -0.8329000      -3.277500    
 H   -1.832500      -2.014300      -1.993100    
 H    2.422000      -1.949400       1.662100    
 H    2.063900      -3.664600       1.528300    
 H  -0.3170000      -3.282600       1.918500    
 H   0.6064000      -2.513300       3.205100    
 H   -3.348600      -1.204900     -0.3205000    
 H   -3.984500     -0.4664000      -1.790100    
 H    3.488200     -0.7936000     -0.9267000    
 H    1.461400       3.312700       1.057800    
 H   -3.941400       1.781700     -0.7093000    
 H   -3.308200       1.069700      0.7777000    
 H    3.884800       3.170500      0.6776000    
 H   -5.333700     -0.3793000      0.9650000    
 H   -5.993800      0.3678000     -0.4917000    
 H    5.560000       1.961800     -9.1700003E-02
 H   -6.930300       1.419000       1.541100    
 H   -5.305600       1.845800       2.104800    
 H   -5.965400       2.601600      0.6408000    


%chk=000114171-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114171

0 1
O 5.255173 0.983762 -0.342404
N -2.039858 0.101939 -1.394087
C 0.773804 -1.172759 -0.587842
C -0.492287 -0.966641 0.268528
C -0.941403 0.368845 -0.426375
C 0.180586 -1.199444 -2.097591
C 1.487865 -2.500919 -0.226351
C -0.257655 -1.084195 1.789602
C 1.642436 0.112362 -0.247091
C -0.478652 1.550253 0.436155
C -1.403565 -1.034895 -2.231266
C 1.719864 -2.640712 1.299772
C 0.402588 -2.455014 2.097271
C 1.071064 1.323090 0.338601
C -3.368905 -0.280128 -0.861132
C 3.038640 0.068424 -0.448541
C 1.939185 2.373606 0.703340
C -4.041466 0.886253 -0.112232
C 3.878164 1.145197 -0.084767
C 3.337629 2.304226 0.510451
C -5.431575 0.512223 0.450187
C -6.104463 1.679331 1.204684
H -1.219979 -1.766307 0.025361
H -0.200174 0.560298 -1.213181
H 0.423828 -2.179768 -2.554961
H 0.688980 -0.437481 -2.718118
H 2.440530 -2.622860 -0.777870
H 0.829007 -3.328982 -0.562304
H -1.220840 -0.995011 2.330556
H 0.402465 -0.282526 2.167914
H -0.835586 1.546642 1.483172
H -0.731267 2.530614 -0.011081
H -1.645383 -0.863865 -3.298287
H -1.870446 -2.003936 -1.944211
H 2.458108 -1.885014 1.632683
H 2.157498 -3.634283 1.518539
H -0.301520 -3.271955 1.831804
H 0.602919 -2.545566 3.182649
H -3.314092 -1.171650 -0.179988
H -4.005042 -0.576984 -1.719039
H 3.513308 -0.814917 -0.886001
H 1.508472 3.285129 1.135442
H -4.131362 1.747210 -0.803339
H -3.387071 1.215401 0.720336
H 3.982266 3.142915 0.803882
H -5.331183 -0.359121 1.129744
H -6.087028 0.183159 -0.382251
H 5.759793 1.784461 -0.054606
H -7.096224 1.389879 1.598533
H -5.483785 2.008220 2.059701
H -6.245761 2.551696 0.539109


