%chk=000063561.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063561

0 1
 O   0.2347000       1.678800       1.080400    
 N  -0.1123000     -0.5911000      0.6783000    
 N   -2.355300     -0.2428000      3.5799999E-02
 N   -4.650700      2.1199999E-02 -0.7034000    
 N    1.620100      -1.944000     -0.2283000    
 C   -1.484500     -0.5493000       1.159100    
 C   -3.762300     -0.2185000      0.4473000    
 C    2.022400      0.4454000      0.1825000    
 C   0.6387000      0.5874000      0.6911000    
 C    2.454300     -0.8138000     -0.2555000    
 C   0.4194000      -1.783200      0.2216000    
 C    2.878300       1.551100      0.1420000    
 C   -4.408700       1.334700      -1.307900    
 C   -6.052200     -7.9700001E-02 -0.2881000    
 C    3.761500     -0.9482000     -0.7364000    
 C    4.177600       1.399700     -0.3399000    
 C    4.619000      0.1525000     -0.7785000    
 H   -1.736900      -1.524500       1.591800    
 H   -1.574800      0.2150000       1.938800    
 H   -3.915400      0.5513000       1.215000    
 H   -4.014300      -1.190600      0.8898000    
 H   -2.235600     -0.9532000     -0.6853000    
 H  -0.2758000      -2.636400      0.2615000    
 H    2.552900       2.531100      0.4791000    
 H   -5.088200       1.497700      -2.152500    
 H   -3.395500       1.406200      -1.717300    
 H   -4.552200       2.151600     -0.5913000    
 H   -6.719300      5.0400000E-02  -1.147700    
 H   -6.314600      0.6677000      0.4695000    
 H   -6.261700      -1.074400      0.1210000    
 H    4.121100      -1.914500      -1.082300    
 H    4.846900       2.254600     -0.3738000    
 H    5.631700      3.6499999E-02  -1.153800    


%chk=000063561-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063561

0 1
O -0.602284 1.136678 1.577307
N -0.369415 -1.121158 0.970626
N -2.873879 -1.410053 1.006577
N -3.915721 0.116304 -0.579338
N 1.428430 -1.930925 -0.431561
C -1.649886 -1.479522 1.738175
C -3.665719 -0.188899 0.848911
C 1.285087 0.480987 0.175708
C 0.055586 0.243714 0.958192
C 1.927327 -0.611694 -0.498206
C 0.332891 -2.109843 0.285994
C 1.827792 1.789731 0.086424
C -2.714316 0.559428 -1.314919
C -5.070921 1.012098 -0.784491
C 3.106149 -0.364673 -1.254927
C 2.993504 2.017219 -0.663071
C 3.631391 0.935341 -1.335038
H -1.478698 -2.504317 2.113888
H -1.666888 -0.775916 2.585548
H -3.121717 0.625119 1.384179
H -4.666246 -0.301253 1.316872
H -3.142435 -2.188167 0.403758
H -0.081099 -3.122036 0.366692
H 1.313847 2.600335 0.613422
H -2.947827 0.633302 -2.392130
H -1.910061 -0.185716 -1.190808
H -2.326174 1.547932 -0.967387
H -5.295948 1.080352 -1.864083
H -4.906591 2.051685 -0.405552
H -5.960887 0.598871 -0.275738
H 3.579018 -1.211605 -1.761048
H 3.413999 3.025984 -0.732446
H 4.539992 1.119396 -1.918931


