%chk=000047670.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047670

0 1
 O    6.269700      -1.702500       1.144700    
 O    5.514200      -2.956300     -0.5942000    
 N  -0.4052000       2.844800      1.6200000E-02
 N   0.5915000       1.904600      0.1111000    
 N    1.609900       2.162400     -0.5629000    
 C   -4.646100      -2.023500     -0.1581000    
 C   -3.809200     -0.7670000      0.1335000    
 C   -5.261100      -2.554400       1.154900    
 C   -3.745900      -3.115900     -0.7751000    
 C   -5.812300      -1.783300      -1.143600    
 C   -2.748300     -0.8766000      0.9971000    
 C   -4.161600      0.4072000     -0.4834000    
 C   -2.316500       1.475400      0.6535000    
 C   -1.989400      0.2636000       1.261500    
 C   -3.402600       1.547400     -0.2189000    
 C   -1.504600       2.694100      0.9355000    
 C  -0.5991000       3.643300      -1.186400    
 C    2.559200       1.140500     -0.3960000    
 C    2.553500      4.5000002E-02  -1.254600    
 C    3.499700       1.230400      0.6261000    
 C    4.441000     -0.8841000     -6.7000002E-02
 C    3.496500     -0.9695000      -1.089600    
 C    4.442600      0.2159000      0.7910000    
 C    5.424300      -1.941600      0.1049000    
 H   -5.898500      -3.426600      0.9675000    
 H   -4.499100      -2.867400       1.876900    
 H   -5.879100      -1.788800       1.639100    
 H   -2.953800      -3.440300     -9.1600001E-02
 H   -4.328700      -4.008200      -1.032600    
 H   -3.263200      -2.757900      -1.692300    
 H   -6.373500      -2.710400      -1.314900    
 H   -6.531100      -1.050300     -0.7585000    
 H   -5.457800      -1.447400      -2.125200    
 H   -2.475400      -1.807900       1.481200    
 H   -4.992400      0.5202000      -1.167800    
 H   -1.146300      0.1931000       1.943800    
 H   -3.666600       2.486100     -0.6990000    
 H   -2.126200       3.597500      0.9189000    
 H   -1.087600       2.644100       1.949800    
 H   0.3589000       3.974600      -1.595100    
 H   -1.185900       4.533300     -0.9411000    
 H   -1.131600       3.042800      -1.928700    
 H    1.821400     -2.8999999E-02  -2.054400    
 H    3.508100       2.084500       1.298100    
 H    3.478400      -1.818000      -1.768500    
 H    5.159800      0.3227000       1.599900    
 H    6.929000      -2.421000       1.251700    


%chk=000047670-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047670

0 1
O 8.067881 -0.571446 -0.093727
O 7.446751 -1.218228 2.048279
N -0.167903 1.835715 0.110002
N 1.021869 1.321706 0.505717
N 1.963952 1.413150 -0.418827
C -5.777090 -1.732128 -0.572374
C -4.622971 -0.796129 -0.141273
C -5.824634 -2.962827 0.383396
C -5.526605 -2.222038 -2.030791
C -7.157300 -1.027752 -0.526211
C -3.283584 -1.280720 -0.133954
C -4.828533 0.547644 0.258127
C -2.422630 0.879381 0.652303
C -2.204592 -0.464602 0.254081
C -3.746131 1.372498 0.645795
C -1.259873 1.760454 1.099662
C -0.370570 2.422921 -1.225582
C 3.215049 0.868784 -0.000871
C 3.483216 0.290180 1.277390
C 4.256141 0.929212 -0.969052
C 5.799798 -0.149157 0.593305
C 4.760885 -0.210073 1.564234
C 5.535332 0.426581 -0.678014
C 7.128477 -0.692997 0.950615
H -6.639059 -3.647788 0.081444
H -4.878266 -3.532194 0.364280
H -6.007641 -2.644803 1.426040
H -4.568374 -2.763987 -2.121232
H -6.334833 -2.908083 -2.346624
H -5.500895 -1.369613 -2.734157
H -7.943614 -1.736082 -0.845069
H -7.410345 -0.686762 0.494806
H -7.197260 -0.156216 -1.205704
H -3.079188 -2.315177 -0.434105
H -5.838603 0.967585 0.268997
H -1.184381 -0.867397 0.248189
H -3.939821 2.409807 0.949000
H -1.629203 2.782133 1.316674
H -0.793315 1.367283 2.020288
H 0.277025 3.308693 -1.358340
H -1.431071 2.699984 -1.326449
H -0.095084 1.695555 -2.009554
H 2.682647 0.245649 2.021055
H 4.030351 1.377106 -1.941983
H 4.986228 -0.656900 2.538548
H 6.336715 0.472115 -1.420354
H 8.930053 -0.955437 0.219421


