%chk=000049289.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049289

0 1
 O  -0.6663000       2.383900     -1.7300000E-02
 O  -0.6016000      -2.420900     -2.2000000E-02
 O    3.267300      3.4100000E-02 -6.2600002E-02
 N    1.278200       1.179200     -3.5799999E-02
 N    1.309900      -1.164500     -4.0800001E-02
 C  -0.8704000     -2.1400001E-02  2.0600000E-02
 C   -1.866800     -3.7700001E-02  -1.146500    
 C  -0.1012000       1.288200     -1.7600000E-02
 C  -6.6000000E-02  -1.310500     -2.1299999E-02
 C   -1.590400     -2.7300000E-02   1.340000    
 C   -1.150100      4.5299999E-02  -2.477400    
 C    2.035200      1.7500000E-02 -4.6100002E-02
 C  -0.9778000      3.4200002E-02   2.527100    
 H   -2.567300      0.8049000      -1.074700    
 H   -2.478800     -0.9492000      -1.130100    
 H   -2.676500     -8.9699998E-02   1.334000    
 H  -0.5929000      0.9798000      -2.592900    
 H  -0.4590000     -0.7896000      -2.627700    
 H   -1.882400      7.4999998E-03  -3.291400    
 H    1.797200       2.052900     -4.8500001E-02
 H    1.852300      -2.023700     -5.6699999E-02
 H   -1.560200      2.3600001E-02   3.442300    
 H   0.1007000      9.3099996E-02   2.619600    


%chk=000049289-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049289

0 1
O -0.388030 2.320155 0.121941
O -0.503475 -2.517066 -0.391753
O 3.509247 -0.193666 -0.091203
N 1.516856 1.020284 0.064243
N 1.466898 -1.322999 -0.230367
C -0.727832 -0.113177 0.064052
C -1.865033 0.027959 -1.012735
C 0.116705 1.168832 0.075151
C 0.064865 -1.408923 -0.217581
C -1.391011 -0.331148 1.443639
C -1.348211 0.156033 -2.460411
C 2.254695 -0.167441 -0.080423
C -1.539299 0.582767 2.430573
H -2.454760 0.918120 -0.733167
H -2.514851 -0.860159 -0.918604
H -1.795594 -1.346792 1.557122
H -0.712364 1.050992 -2.590019
H -0.773293 -0.735579 -2.771131
H -2.201221 0.255825 -3.154610
H 2.072524 1.879686 0.132318
H 1.984998 -2.197973 -0.363719
H -2.064475 0.311971 3.353116
H -1.174239 1.612001 2.347767


