%chk=000021266.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021266

0 1
 O  -0.1512000      0.1730000       2.060100    
 O    5.577400      0.5270000     -0.2723000    
 N  -0.4282000      -1.467100      -1.204400    
 C  -0.8622000       1.361700      7.1300000E-02
 C  -5.5399999E-02  0.1260000      0.6205000    
 C  -0.3535000       1.803900      -1.310800    
 C    1.453900      0.2671000      0.3635000    
 C    1.104700       2.235900      -1.222200    
 C    1.978500       1.234300     -0.5161000    
 C   -2.382300       1.209500      0.1045000    
 C  -0.5823000      -1.227900      0.1116000    
 C    2.350600     -0.6144000       1.004800    
 C    3.368500       1.315100     -0.7116000    
 C   -3.072200       1.437300       1.290600    
 C   -3.064400      0.8449000      -1.051700    
 C    4.235600      0.4366000     -6.5700002E-02
 C    3.726300     -0.5303000      0.7916000    
 C   -1.167000      -2.095900       1.010000    
 C   -4.459900       1.298600       1.321100    
 C   -4.452100      0.7064000      -1.021100    
 C   -1.632500      -3.310300      0.5179000    
 C   -5.149700      0.9332000      0.1653000    
 C  -0.8926000      -2.657400      -1.646200    
 C   -1.496500      -3.604100     -0.8343000    
 C    6.406200     -0.4032000      0.4235000    
 H  -0.6524000       2.214000      0.7388000    
 H  -0.9427000       2.646000      -1.696100    
 H  -0.4318000      0.9968000      -2.047600    
 H    1.172200       3.188900     -0.6825000    
 H    1.479000       2.407700      -2.238800    
 H    1.977400      -1.380900       1.680900    
 H    3.777500       2.073300      -1.376600    
 H   0.2580000      0.9991000       2.371000    
 H   -2.547100       1.724000       2.197400    
 H   -2.561300      0.6426000      -1.990700    
 H    4.338200      -1.248100       1.326900    
 H   -1.286600      -1.880900       2.065100    
 H   -5.003100       1.475200       2.244800    
 H   -4.989400      0.4177000      -1.919700    
 H   -2.101800      -4.025900       1.186200    
 H   -6.230000      0.8242000      0.1892000    
 H  -0.7632000      -2.837500      -2.708200    
 H   -1.852600      -4.544000      -1.240100    
 H    7.442000     -0.1865000      0.1422000    
 H    6.200100      -1.434000      0.1157000    
 H    6.335200     -0.2721000       1.508600    


%chk=000021266-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021266

0 1
O -0.297211 0.093940 2.090303
O 5.636760 0.553403 -0.255690
N -0.351694 -1.439378 -1.241742
C -0.852856 1.398980 0.044847
C -0.061643 0.156727 0.620368
C -0.335017 1.761887 -1.368113
C 1.451185 0.283869 0.369063
C 1.133388 2.219417 -1.294459
C 2.011324 1.237187 -0.528488
C -2.367408 1.220176 0.126526
C -0.601263 -1.178244 0.078762
C 2.316581 -0.594948 1.064730
C 3.412004 1.284046 -0.696190
C -3.067049 1.614684 1.295665
C -3.113918 0.661682 -0.944209
C 4.264190 0.403013 0.006676
C 3.715126 -0.551332 0.899610
C -1.321570 -2.075809 0.903911
C -4.466946 1.455356 1.398981
C -4.513976 0.502395 -0.847477
C -1.783522 -3.289695 0.350165
C -5.198038 0.897321 0.325085
C -0.809986 -2.612024 -1.763493
C -1.522270 -3.571799 -1.009760
C 6.558279 -0.351693 0.434137
H -0.580731 2.241699 0.718789
H -0.961453 2.568495 -1.793066
H -0.409632 0.879827 -2.028138
H 1.182804 3.210588 -0.794581
H 1.543130 2.365502 -2.311630
H 1.876650 -1.331896 1.745635
H 3.866732 2.005004 -1.384510
H 0.235641 0.821002 2.501093
H -2.507080 2.046116 2.133442
H -2.598871 0.345412 -1.857551
H 4.350711 -1.249709 1.451758
H -1.502606 -1.809512 1.946498
H -4.986080 1.767906 2.312484
H -5.070681 0.069621 -1.686784
H -2.341928 -4.000623 0.969011
H -6.284765 0.775849 0.399896
H -0.588077 -2.781880 -2.823949
H -1.859469 -4.502833 -1.476629
H 7.560223 -0.062085 0.084634
H 6.361089 -1.408340 0.167395
H 6.497226 -0.229805 1.533395


