%chk=000063658.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063658

0 1
 O   -1.682000      9.9100001E-02  0.9058000    
 O    2.659400      -1.798400       1.386000    
 N    1.851500      0.3460000      0.9052000    
 N    3.163000       1.835200     -0.4049000    
 N  -0.3729000      -1.416200     -9.1499999E-02
 N   -1.647000      -1.543400     -0.6125000    
 C   0.6118000      0.1165000       1.645800    
 C    2.089100       1.562500      0.2682000    
 C    4.020400     -0.4041000      9.4700001E-02
 C    2.788600     -0.6976000      0.8577000    
 C    4.154800      0.8508000     -0.5048000    
 C  -0.4672000     -0.4605000      0.7684000    
 C    5.030100      -1.365800     -2.3499999E-02
 C    1.031100       2.635700      0.3659000    
 C    5.318800       1.132900      -1.228700    
 C   -2.377200     -0.6398000     -1.6000000E-03
 C   -3.767300     -0.3168000     -0.1419000    
 C    6.184300      -1.070600     -0.7476000    
 C    6.328900      0.1773000      -1.350100    
 C   -4.336000      0.7042000      0.6273000    
 C   -4.567600      -1.020000      -1.048900    
 C   -6.480200      0.3130000     -0.4148000    
 C   -5.688200       1.018200      0.4913000    
 C   -5.919900     -0.7061000      -1.185000    
 C   -7.926200      0.6479000     -0.5605000    
 H   0.2665000       1.037400       2.123600    
 H   0.8024000     -0.5994000       2.454200    
 H    4.936200      -2.344500      0.4385000    
 H   0.9590000       2.993800       1.396600    
 H   5.9999999E-02   2.259000      3.7300002E-02
 H    1.298400       3.485400     -0.2703000    
 H    5.446100       2.102500      -1.704300    
 H    6.970800      -1.813600     -0.8423000    
 H    7.228100      0.4071000      -1.914300    
 H   -3.751800       1.275900       1.344300    
 H   -4.153100      -1.818800      -1.659700    
 H   -6.113900       1.813100       1.098100    
 H   -6.527200      -1.263800      -1.893000    
 H   -8.523200      4.2599998E-02  0.1288000    
 H   -8.110500       1.706400     -0.3475000    
 H   -8.273600      0.4620000      -1.582500    


%chk=000063658-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063658

0 1
O -1.321801 1.277446 0.776531
O 1.495970 0.059704 2.394478
N 1.837943 1.609796 0.659067
N 3.387894 1.218860 -1.139106
N -1.100057 3.358265 -0.120739
N -2.377770 2.830525 -0.524524
C 0.819368 2.482041 1.307131
C 2.513854 2.000601 -0.521808
C 3.055038 -0.509882 0.615195
C 2.087828 0.350411 1.311534
C 3.663300 -0.049414 -0.596149
C -0.515773 2.428204 0.634541
C 3.374671 -1.791062 1.137201
C 2.247621 3.377579 -1.082042
C 4.587628 -0.894055 -1.271569
C -2.477068 1.606186 0.014808
C -3.560362 0.638828 -0.087253
C 4.289140 -2.613198 0.459670
C 4.894152 -2.160605 -0.748248
C -3.482380 -0.620751 0.564619
C -4.716398 0.962062 -0.849696
C -5.704165 -1.230676 -0.311362
C -4.545650 -1.537275 0.449994
C -5.769218 0.036043 -0.954225
C -6.832621 -2.234152 -0.455800
H 1.161463 3.527051 1.311539
H 0.725792 2.115867 2.345233
H 2.890693 -2.108582 2.066501
H 2.619251 4.166912 -0.400199
H 1.174489 3.571848 -1.255286
H 2.792476 3.459253 -2.032836
H 5.042430 -0.524114 -2.195199
H 4.538913 -3.602368 0.857358
H 5.606687 -2.806956 -1.272506
H -2.595723 -0.870630 1.155992
H -4.771547 1.936478 -1.345602
H -4.477507 -2.505578 0.959165
H -6.657807 0.295589 -1.541709
H -6.729584 -2.809855 -1.396349
H -6.839506 -2.960085 0.375322
H -7.817365 -1.735213 -0.486171


