%chk=000027512.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027512

0 1
 O   0.1092000      -1.537100     -0.1530000    
 N   -1.486100      0.6479000     -0.7199000    
 N  -0.1121000      0.7349000     -0.5699000    
 N    4.791000      8.1100002E-02  0.1947000    
 C   -3.678600      0.8573000      0.4257000    
 C   -4.290600     -0.4817000     -3.5999998E-02
 C   -2.144600      0.8870000      0.5638000    
 C   -3.871800      -1.597900      0.9256000    
 C   -3.881700     -0.8506000      -1.462300    
 C   -1.718000       2.258000       1.096700    
 C   0.5988000     -0.4182000     -0.2865000    
 C    2.065200     -0.2440000     -0.1192000    
 C    2.753600      -1.128100      0.6768000    
 C    2.690000      0.7968000     -0.7639000    
 C    4.118200     -0.9221000      0.8020000    
 C    4.057500      0.9166000     -0.5745000    
 H   -4.002400       1.647400     -0.2660000    
 H   -4.122200       1.112800       1.397900    
 H   -5.382300     -0.3773000     -4.1999999E-03
 H   -1.835000      0.1324000       1.296000    
 H   -4.093400      -1.327400       1.963400    
 H   -4.427000      -2.515000      0.6988000    
 H   -2.807200      -1.840000      0.8501000    
 H   -3.970100      5.5000000E-03  -2.138800    
 H   -2.870900      -1.262100      -1.527900    
 H   -4.551500      -1.631700      -1.841500    
 H  -0.6556000       2.291700       1.361400    
 H   -1.917600       3.056300      0.3723000    
 H   -2.271400       2.501000       2.011300    
 H   -1.758300       1.366900      -1.389600    
 H   0.3066000       1.655600     -0.6472000    
 H    2.276000      -1.950600       1.196300    
 H    2.191000       1.495500      -1.423700    
 H    4.725200      -1.579700       1.415500    
 H    4.618200       1.709500      -1.058600    


%chk=000027512-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027512

0 1
O 0.015142 -1.527304 -0.247539
N -1.481740 0.836893 -0.603133
N -0.082815 0.812232 -0.459669
N 4.930315 -0.174591 0.154045
C -3.778623 0.887537 0.334162
C -4.221738 -0.566470 -0.017530
C -2.276943 1.135658 0.620056
C -3.607859 -1.616309 0.940401
C -3.949214 -0.957280 -1.491478
C -2.047240 2.573362 1.160895
C 0.588759 -0.402851 -0.294490
C 2.090412 -0.270811 -0.149723
C 2.784027 -1.284703 0.555390
C 2.850589 0.782668 -0.719499
C 4.186303 -1.193163 0.685570
C 4.253514 0.786054 -0.542278
H -4.109806 1.575297 -0.475153
H -4.323550 1.207810 1.245678
H -5.324316 -0.579601 0.126966
H -1.938300 0.412364 1.384514
H -3.758394 -1.339460 2.002268
H -4.079341 -2.604070 0.781376
H -2.524849 -1.730670 0.751271
H -4.376855 -0.212615 -2.191575
H -2.864142 -1.033215 -1.672929
H -4.410574 -1.936456 -1.721394
H -0.974094 2.773165 1.346725
H -2.425303 3.329889 0.446102
H -2.576058 2.721129 2.120449
H -1.776089 1.341196 -1.448620
H 0.432808 1.680178 -0.259106
H 2.224320 -2.125561 0.975529
H 2.384087 1.567110 -1.325313
H 4.750083 -1.957812 1.231048
H 4.869585 1.581101 -0.977414


