%chk=000055728.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055728

0 1
 O    4.173500      -1.889700      0.5261000    
 N  -3.7700001E-02  0.6299000      1.0100000E-02
 N   0.1779000     -0.6989000      0.2103000    
 N   0.3310000       2.775900     -0.2871000    
 N   -1.033000       2.556200     -0.3039000    
 N   -7.286200      -1.873000      0.1139000    
 C    2.310100       1.248600      3.8000001E-03
 C    2.582700     -0.1103000      0.2107000    
 C   0.9165000       1.613700     -9.8800004E-02
 C   -1.234300       1.269300     -0.1250000    
 C    3.889300     -0.5751000      0.3249000    
 C    3.361100       2.157500     -9.0599999E-02
 C    1.433800      -1.039200      0.3045000    
 C   -2.514400      0.6062000     -7.4600004E-02
 C    4.938300      0.3395000      0.2296000    
 C    4.676000       1.698400      2.3100000E-02
 C   -3.090800      0.1130000      -1.245200    
 C   -3.175600      0.4574000       1.144600    
 C    4.969300      -2.542000     -0.4631000    
 C   -4.328200     -0.5289000      -1.196700    
 C   -4.413000     -0.1846000       1.193100    
 C   -4.989300     -0.6778000      2.2399999E-02
 C    4.598900      -4.009200     -0.5051000    
 C   -6.256000      -1.336900      7.2899997E-02
 H    3.176200       3.216100     -0.2503000    
 H    1.651000      -2.107800      0.4669000    
 H    5.970800      1.2700000E-02  0.3230000    
 H    5.501100       2.402000     -4.7400001E-02
 H   -2.587700      0.2209000      -2.203100    
 H   -2.739200      0.8362000       2.065800    
 H    4.804800      -2.099900      -1.453700    
 H    6.026500      -2.432700     -0.1978000    
 H   -4.764400     -0.9083000      -2.117700    
 H   -4.916000     -0.2933000       2.151000    
 H    5.199600      -4.543300      -1.246500    
 H    4.751600      -4.473800      0.4747000    
 H    3.539500      -4.131800     -0.7536000    


%chk=000055728-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055728

0 1
O 4.069382 -2.037446 0.151452
N -0.126223 0.512907 -0.226206
N 0.122402 -0.839375 0.036729
N 0.242736 2.702516 -0.675904
N -1.145196 2.476143 -0.587834
N -7.805684 -1.356180 0.366845
C 2.243284 1.139756 -0.426277
C 2.520351 -0.244244 -0.158286
C 0.851551 1.507892 -0.455631
C -1.369145 1.153372 -0.316202
C 3.886084 -0.682567 -0.114082
C 3.295127 2.065323 -0.645378
C 1.418349 -1.157996 0.059915
C -2.704021 0.571911 -0.160575
C 4.928142 0.242353 -0.333123
C 4.620198 1.604360 -0.595968
C -3.824514 1.442775 -0.302763
C -2.927039 -0.805744 0.121669
C 5.455264 -2.563831 0.213358
C -5.131577 0.952866 -0.167830
C -4.237918 -1.296704 0.256754
C -5.352785 -0.426258 0.113816
C 5.347743 -4.054169 0.517553
C -6.692039 -0.933504 0.252146
H 3.055084 3.112136 -0.847508
H 1.623642 -2.211614 0.263854
H 5.974418 -0.072215 -0.304345
H 5.443603 2.306787 -0.763441
H -3.640466 2.499020 -0.518974
H -2.073359 -1.477586 0.232098
H 5.952678 -2.381604 -0.760298
H 6.009027 -2.024324 1.007604
H -5.987668 1.625530 -0.277969
H -4.406738 -2.356261 0.472981
H 6.357634 -4.499053 0.572902
H 4.840256 -4.222329 1.482361
H 4.781116 -4.575643 -0.272243


