%chk=000045276.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045276

0 1
 O    1.525700      0.3143000      -1.470800    
 N   0.5414000      0.3254000      0.6607000    
 N    3.994300     -1.0000000E-03 -0.2794000    
 C  -0.8322000      0.1361000      0.3776000    
 C   -1.342700      -1.151900      0.3143000    
 C   -1.644500       1.240900      0.1697000    
 C   -3.525000     -0.2369000     -0.1739000    
 C   -2.697000      -1.339500      3.6899999E-02
 C   -2.998500       1.053300     -0.1078000    
 C    2.907800      0.6113000      0.4844000    
 C    1.594200      0.4021000     -0.2490000    
 C  -0.4827000      -2.353500      0.5385000    
 C   -1.108600       2.634700      0.2328000    
 C   -4.972500     -0.4375000     -0.4721000    
 C    3.761400      -1.435900     -0.4390000    
 C    5.278900      0.2384000      0.3772000    
 H   -3.112400      -2.343300     -1.4600000E-02
 H   -3.648400       1.909700     -0.2724000    
 H   0.7287000      0.6135000       1.618800    
 H    2.856000      0.1974000       1.499400    
 H    3.056700       1.694900      0.5641000    
 H   -1.068800      -3.278900      0.5500000    
 H   3.0200001E-02  -2.286200       1.503700    
 H   0.2606000      -2.444300     -0.2603000    
 H  -0.6249000       2.818600       1.197900    
 H  -0.3860000       2.802600     -0.5724000    
 H   -1.902000       3.382100      0.1231000    
 H   -5.139200      -1.378700      -1.007100    
 H   -5.548400     -0.4562000      0.4584000    
 H   -5.360100      0.3650000      -1.108700    
 H    2.886000      -1.666300      -1.052900    
 H    3.648800      -1.944500      0.5261000    
 H    4.608300      -1.898400     -0.9604000    
 H    6.099700     -0.1750000     -0.2194000    
 H    5.322200     -0.2059000       1.378400    
 H    5.469500       1.313500      0.4685000    


%chk=000045276-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045276

0 1
O 1.441091 -0.372797 -1.578366
N 0.565128 0.389876 0.458149
N 4.044799 -0.336560 -0.110445
C -0.838546 0.160292 0.225244
C -1.328372 -1.137916 -0.094128
C -1.727298 1.266235 0.369335
C -3.630464 -0.215234 -0.166822
C -2.722246 -1.291882 -0.296845
C -3.110947 1.057880 0.173765
C 2.979890 0.655477 0.063698
C 1.606032 0.155573 -0.445475
C -0.410690 -2.338406 -0.194997
C -1.196713 2.649442 0.706148
C -5.123313 -0.423993 -0.356044
C 3.828147 -1.575780 0.654590
C 5.392403 0.232512 0.055112
H -3.105334 -2.287927 -0.552291
H -3.795132 1.909791 0.275105
H 0.813801 0.899408 1.310670
H 2.881715 0.997597 1.133400
H 3.239370 1.548835 -0.537274
H -0.988645 -3.278129 -0.188964
H 0.305920 -2.364962 0.647866
H 0.189593 -2.290306 -1.121623
H -0.780252 2.701546 1.732899
H -0.390147 2.951192 0.012164
H -2.000079 3.402408 0.644987
H -5.330107 -1.250244 -1.058578
H -5.616166 -0.676868 0.603221
H -5.613242 0.485932 -0.745632
H 2.866028 -2.030624 0.361380
H 3.822135 -1.419131 1.764806
H 4.628095 -2.298128 0.415569
H 6.148005 -0.533091 -0.195808
H 5.605932 0.595641 1.093938
H 5.526109 1.082240 -0.638453


