%chk=000063528.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063528

0 1
 O    1.060800       2.271700       1.107100    
 N   -1.882400      -2.045000     -0.1245000    
 N  -0.1980000      0.6576000     -5.9000000E-02
 N   0.9331000      -1.191600      -1.039700    
 N    5.863600      0.6824000      0.8783000    
 C   -3.127400      -2.752600     -0.4225000    
 C  -0.9155000      -3.095400      0.1929000    
 C   -3.175600      -3.826800      0.6540000    
 C   -1.722300      -4.049600       1.060900    
 C   -1.444900      -1.201700      -1.227000    
 C  -0.1587000     -0.5440000     -0.7703000    
 C   -1.414600       1.402400      0.1159000    
 C   0.9789000       1.215500      0.4843000    
 C    2.223200      0.4678000      0.2074000    
 C    2.149500     -0.6916000     -0.5646000    
 C   -1.809000       2.342600     -0.8291000    
 C    3.454500      0.9287000      0.6887000    
 C   -2.188800       1.165200       1.246100    
 C    3.327900      -1.390600     -0.8517000    
 C    4.620600      0.2227000      0.3959000    
 C   -2.993400       3.055200     -0.6415000    
 C    4.558000     -0.9357000     -0.3747000    
 C  -0.9911000       2.612300      -2.050300    
 C   -3.373000       1.877800       1.433700    
 C   -3.775500       2.822900      0.4899000    
 H   -3.998900      -2.092200     -0.3728000    
 H   -3.100300      -3.222500      -1.414200    
 H  -0.5662000      -3.622500     -0.7044000    
 H  -5.1399998E-02  -2.736400      0.7602000    
 H   -3.638300      -4.746800      0.2825000    
 H   -3.754700      -3.484800       1.519700    
 H   -1.595600      -3.813100       2.124000    
 H   -1.413800      -5.089000      0.9093000    
 H   -1.251800      -1.783400      -2.137500    
 H   -2.207200     -0.4577000      -1.471000    
 H    3.512600       1.834200       1.287800    
 H   -1.883800      0.4321000       1.988100    
 H    3.293000      -2.299400      -1.447800    
 H   -3.321900       3.795100      -1.366600    
 H    5.459300      -1.495800     -0.6101000    
 H   -1.446900       3.382000      -2.682800    
 H   6.3999998E-03   2.969800      -1.775100    
 H  -0.8970000       1.707700      -2.659400    
 H   -3.981900       1.696900       2.314600    
 H   -4.697700       3.377500      0.6361000    
 H    5.909700       1.521900       1.440300    
 H    6.709200      0.1689000      0.6684000    


%chk=000063528-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063528

0 1
O 0.995966 2.428581 0.839118
N -1.862723 -2.154736 -0.124890
N -0.073164 0.582998 -0.158996
N 1.157976 -1.309613 -1.010695
N 6.008011 1.022676 0.749364
C -3.287672 -2.527830 -0.325048
C -1.164562 -3.428239 0.193833
C -3.556488 -3.546352 0.813366
C -2.146745 -4.142175 1.158548
C -1.272689 -1.366500 -1.229719
C 0.011816 -0.682077 -0.795310
C -1.362444 1.241245 0.045373
C 1.092151 1.284593 0.302071
C 2.362319 0.563781 0.087099
C 2.347303 -0.707493 -0.570101
C -1.736010 2.326957 -0.793171
C 3.573717 1.144381 0.524223
C -2.197660 0.792156 1.090274
C 3.587228 -1.375347 -0.774581
C 4.802316 0.470034 0.321261
C -2.992771 2.937221 -0.552327
C 4.787758 -0.804440 -0.339819
C -0.819807 2.836735 -1.887022
C -3.443469 1.417890 1.312030
C -3.841406 2.494090 0.486645
H -3.929952 -1.630216 -0.269768
H -3.452042 -3.010445 -1.322522
H -1.006092 -4.039261 -0.730895
H -0.172634 -3.234724 0.633922
H -4.275149 -4.321695 0.495435
H -3.982138 -3.035269 1.693858
H -1.884752 -3.923128 2.207809
H -2.110166 -5.237553 1.025928
H -1.015985 -2.006221 -2.106491
H -2.015309 -0.615128 -1.550645
H 3.529009 2.120752 1.019875
H -1.874160 -0.057505 1.697290
H 3.571452 -2.346622 -1.278660
H -3.301577 3.776647 -1.186569
H 5.734590 -1.333893 -0.503572
H -1.347682 3.543441 -2.549335
H 0.045455 3.362075 -1.441120
H -0.416871 2.015501 -2.508064
H -4.091777 1.071415 2.124006
H -4.805496 2.988194 0.652116
H 6.027650 1.921698 1.221751
H 6.887374 0.536102 0.603625


