%chk=000127770.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127770

0 1
 O   -2.093500       2.144900      0.7581000    
 O   -3.591900      -3.248100     -0.7601000    
 N   -4.584500      -1.165800     -0.1956000    
 N   -2.352200      -1.299700     -0.2098000    
 N    3.738600     -0.2255000      0.1464000    
 N    5.877500     -0.1646000     -0.4835000    
 C   -4.065700      6.4900003E-02  0.1480000    
 C   -2.726400     -2.5300000E-02  0.1368000    
 C   -4.973400       1.197200      0.4488000    
 C  -0.2898000      0.6801000      0.3544000    
 C   -1.745000       1.004300      0.4286000    
 C    2.391100      7.7699997E-02  0.2159000    
 C   -3.519500      -2.073800     -0.4348000    
 C   0.3640000      0.8561000     -0.8434000    
 C   0.3405000      0.2153000       1.486000    
 C    1.723200      0.5507000     -0.9137000    
 C    1.699700     -9.0000004E-02   1.415800    
 C   -5.313600       2.010500     -0.7928000    
 C    4.683500      0.3547000     -0.6641000    
 C    4.387300      -1.179200      0.8902000    
 C    4.350500       1.437500      -1.614700    
 C    5.699700      -1.121800      0.4838000    
 H   -5.900800      0.8202000      0.8976000    
 H   -4.532600       1.857400       1.203300    
 H   -5.573300      -1.373800     -0.2644000    
 H   -1.399300      -1.631800     -0.2921000    
 H  -0.1593000       1.199200      -1.730800    
 H  -0.1936000      8.7099999E-02   2.422600    
 H    2.154400      0.5907000      -1.903800    
 H    2.190200     -0.4383000       2.320800    
 H   -5.989500       2.831300     -0.5325000    
 H   -5.809300       1.391800      -1.548600    
 H   -4.413900       2.443800      -1.242700    
 H    3.892100      -1.816500       1.610400    
 H    4.005800       1.046500      -2.575800    
 H    3.668900       2.190100      -1.210000    
 H    5.273100       1.987500      -1.842800    
 H    6.524500      -1.724200      0.8352000    


%chk=000127770-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127770

0 1
O -2.278492 1.475051 1.608833
O -3.873855 -2.997099 -1.966658
N -4.743351 -1.043717 -0.850335
N -2.566857 -1.404089 -0.717403
N 3.833492 -0.088673 0.225398
N 5.977276 0.067586 -0.504378
C -4.233557 -0.013071 -0.061987
C -2.848435 -0.218897 0.025817
C -5.094083 1.085874 0.496255
C -0.406491 0.345585 0.594249
C -1.882680 0.579988 0.780419
C 2.414937 0.068426 0.332930
C -3.730342 -1.958115 -1.272074
C 0.175909 0.002357 -0.655195
C 0.450203 0.569818 1.704589
C 1.571903 -0.138940 -0.786619
C 1.842484 0.428215 1.582073
C -4.962909 2.414161 -0.299324
C 4.697711 0.370003 -0.800380
C 4.647579 -0.701511 1.203585
C 4.265554 1.144577 -2.010048
C 5.950258 -0.607167 0.729172
H -6.150691 0.754432 0.504411
H -4.785035 1.273555 1.538272
H -5.722148 -1.176230 -1.101164
H -1.667595 -1.878305 -0.762402
H -0.453310 -0.118847 -1.543866
H 0.000653 0.878600 2.653660
H 2.003334 -0.422391 -1.750635
H 2.495160 0.621840 2.439413
H -5.636729 3.177863 0.127673
H -5.223601 2.277079 -1.364122
H -3.930431 2.796096 -0.233130
H 4.225007 -1.172979 2.086389
H 3.897174 0.490591 -2.822900
H 3.470777 1.874501 -1.776299
H 5.144924 1.684512 -2.393936
H 6.863757 -0.979579 1.186419


