%chk=000096573.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096573

0 1
 O   2.3900000E-02   1.490600      -1.523000    
 N    1.347600     -0.5540000      0.7414000    
 N   -2.791400     -0.8245000      3.1800002E-02
 N   0.8129000       2.167800      0.5296000    
 C   5.3800002E-02 -0.1082000      0.2620000    
 C  -0.9186000     -1.7000001E-02   1.444800    
 C  -0.4686000      -1.087500     -0.7982000    
 C   -2.363200      0.1983000      0.9874000    
 C   -1.933300     -0.8218000      -1.154300    
 C   0.2811000       1.250600     -0.3459000    
 C    2.303000     -0.6261000     -0.3520000    
 C    3.652700      -1.068200      0.1764000    
 H  -0.6509000      0.7761000       2.152800    
 H  -0.8849000     -0.9539000       2.019900    
 H  -0.3873000      -2.120100     -0.4298000    
 H   9.1899998E-02  -1.041900      -1.739500    
 H   -3.026700      0.1628000       1.858700    
 H   -2.484300       1.195200      0.5469000    
 H   -2.055600      0.1218000      -1.696800    
 H   -2.282300      -1.607200      -1.834700    
 H    1.266300      -1.467200       1.188100    
 H   -2.733300      -1.739500      0.4794000    
 H    2.021500      -1.366200      -1.107000    
 H    2.461700      0.3321000     -0.8568000    
 H    1.008400       3.117500      0.2308000    
 H    1.069400       1.932600       1.482700    
 H    4.039300     -0.3614000      0.9188000    
 H    3.594900      -2.057600      0.6433000    
 H    4.380000      -1.126700     -0.6403000    


%chk=000096573-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096573

0 1
O -0.645618 1.902756 -1.201894
N 1.378327 -0.462567 0.687228
N -2.899737 -0.857642 0.024270
N 1.065095 2.149981 0.360293
C 0.019017 -0.065856 0.189306
C -0.937293 -0.098298 1.427109
C -0.539624 -1.000858 -0.929034
C -2.426220 0.112851 1.037393
C -2.064319 -0.818296 -1.199668
C 0.111404 1.414438 -0.309283
C 2.421311 -0.755071 -0.332423
C 3.772329 -1.031852 0.349357
H -0.607707 0.656891 2.166110
H -0.840608 -1.097524 1.906043
H -0.352594 -2.048057 -0.606893
H 0.012562 -0.838435 -1.874120
H -3.062180 0.032511 1.938082
H -2.565006 1.128461 0.623056
H -2.219791 0.157104 -1.689141
H -2.413558 -1.609126 -1.889621
H 1.302348 -1.233379 1.367294
H -2.953045 -1.809502 0.417259
H 2.153716 -1.616010 -0.984765
H 2.508238 0.130045 -0.990826
H 1.184487 3.139738 0.152315
H 1.670238 1.630177 1.006907
H 4.090434 -0.166715 0.958039
H 3.710857 -1.912717 1.017190
H 4.554935 -1.236651 -0.403083


