%chk=000045958.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045958

1 1
 O  -0.2215000      0.2426000     -8.8200003E-02
 O   -1.189400      -1.648600      0.7542000    
 N    3.503800      2.3000000E-02 -9.2200004E-02
 N   -2.529800      0.1004000      1.0800000E-02
 C    2.134000      0.6516000     -0.3034000    
 C    3.596300      -1.271300     -0.8874000    
 C    4.582400      0.9870000     -0.5650000    
 C    3.702800     -0.2751000       1.386900    
 C    1.061900     -0.3242000      0.1401000    
 C   -1.305200     -0.5262000      0.2649000    
 C   -3.804800     -0.5426000      0.3133000    
 C   -2.608300       1.432800     -0.5709000    
 C   -4.305700      -1.352400     -0.8705000    
 C   -2.616400       2.503000      0.5074000    
 H    2.087500       1.585900      0.2689000    
 H    2.028700      0.9021000      -1.365900    
 H    3.258300      -1.082100      -1.910500    
 H    4.644900      -1.586800     -0.8958000    
 H    3.005700      -2.055400     -0.4073000    
 H    4.496800       1.911200      1.4200000E-02
 H    5.561100      0.5254000     -0.4035000    
 H    4.425500       1.185200      -1.629500    
 H    3.466200      0.6247000       1.962100    
 H    3.078100      -1.118300       1.691000    
 H    4.752600     -0.5477000       1.537400    
 H    1.098800      -1.258500     -0.4260000    
 H    1.132100     -0.5428000       1.209300    
 H   -3.662600      -1.215300       1.166500    
 H   -4.538500      0.2149000      0.6086000    
 H   -1.757100       1.599300      -1.239500    
 H   -3.512000       1.505700      -1.186100    
 H   -4.470700     -0.7154000      -1.745400    
 H   -3.583300      -2.125400      -1.153000    
 H   -5.251800      -1.843100     -0.6223000    
 H   -3.474300       2.385600       1.177200    
 H   -1.708600       2.455800       1.117900    
 H   -2.671700       3.497800      5.4499999E-02


%chk=000045958-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045958

1 1
O -0.229283 0.217464 -0.103722
O -1.265820 -1.704074 0.776923
N 3.543372 0.001234 -0.065302
N -2.555061 0.107686 -0.010065
C 2.087790 0.496331 -0.247896
C 3.803264 -1.248348 -0.908633
C 4.477863 1.118771 -0.535380
C 3.835345 -0.302978 1.405082
C 1.012082 -0.515539 0.171094
C -1.402720 -0.560974 0.266804
C -3.845876 -0.554379 0.333738
C -2.596347 1.462247 -0.618991
C -4.457167 -1.316547 -0.858283
C -2.540847 2.591950 0.429581
H 1.985683 1.418489 0.349190
H 1.969133 0.751155 -1.314827
H 3.525153 -1.039828 -1.952974
H 4.873327 -1.499844 -0.848491
H 3.205601 -2.085776 -0.522266
H 4.290343 2.021280 0.065971
H 5.521641 0.794021 -0.406965
H 4.279568 1.329913 -1.597105
H 3.595404 0.585226 2.009278
H 3.224995 -1.155438 1.734655
H 4.902702 -0.550769 1.510758
H 1.035969 -1.448828 -0.420863
H 1.058360 -0.784834 1.242018
H -3.659447 -1.246860 1.171172
H -4.535433 0.233001 0.689833
H -1.761281 1.559212 -1.331746
H -3.534785 1.526026 -1.198909
H -4.634710 -0.650675 -1.722184
H -3.793879 -2.138335 -1.178253
H -5.427916 -1.754501 -0.565205
H -3.370192 2.509658 1.154304
H -1.588887 2.562111 0.987645
H -2.622144 3.575555 -0.067185


