%chk=000052403.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052403

0 1
 O   -1.492000      -1.284500      0.2945000    
 O   -2.253500      0.9564000      0.3778000    
 N    1.306100     -0.2803000     -0.3738000    
 N    2.389200      7.9400003E-02  0.3571000    
 C  -0.7905000      0.3137000      -1.412300    
 C   -1.907400     -0.1483000     -0.4687000    
 C   0.4790000      0.6832000     -0.6562000    
 C   0.6545000       2.129000     -0.2423000    
 C    3.664600     -0.1815000     -0.3154000    
 C    2.431600     -0.5160000       1.697900    
 C   -1.147200      -2.404800     -0.5086000    
 C   -3.334100      0.6537000       1.250100    
 H   -1.122400       1.196400      -1.971100    
 H  -0.5402000     -0.4528000      -2.153000    
 H   -2.791400     -0.4151000      -1.062300    
 H   0.5495000       2.210700      0.8432000    
 H  -0.1011000       2.762000     -0.7143000    
 H    1.641100       2.490600     -0.5448000    
 H    3.683500      0.3137000      -1.292800    
 H    3.828300      -1.253300     -0.4749000    
 H    4.503700      0.2228000      0.2613000    
 H    3.264600     -0.1104000       2.282200    
 H    2.525800      -1.606800       1.654200    
 H    1.512500     -0.2765000       2.244500    
 H  -0.1749000      -2.287100     -0.9897000    
 H   -1.920600      -2.604300      -1.257200    
 H   -1.080500      -3.276700      0.1489000    
 H   -3.051600     -0.1280000       1.961300    
 H   -4.215900      0.3461000      0.6798000    
 H   -3.582100       1.557500       1.813300    


%chk=000052403-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052403

0 1
O -1.479069 -1.114531 0.427600
O -2.475025 0.994549 0.205291
N 1.541337 -0.016238 -0.768680
N 2.744692 0.203218 0.011434
C -0.717872 0.473665 -1.373235
C -1.893763 -0.087830 -0.540514
C 0.518352 0.789105 -0.550129
C 0.491171 1.972919 0.389621
C 3.843673 -0.553765 -0.629813
C 2.603023 -0.153786 1.448898
C -1.065389 -2.372239 -0.205597
C -3.686685 0.609680 0.945659
H -1.091774 1.379633 -1.887389
H -0.435762 -0.271359 -2.137763
H -2.658385 -0.545471 -1.222144
H 0.035402 1.704440 1.361501
H -0.139748 2.773308 -0.032365
H 1.518484 2.343789 0.559266
H 3.902189 -0.270829 -1.691888
H 3.699950 -1.657111 -0.567368
H 4.795775 -0.286964 -0.137831
H 3.572352 0.018250 1.948535
H 2.314283 -1.221871 1.586206
H 1.845733 0.475156 1.939216
H -0.110033 -2.248741 -0.750934
H -1.847357 -2.750668 -0.899293
H -0.929903 -3.092823 0.616440
H -3.451407 -0.140727 1.719823
H -4.455197 0.199759 0.256636
H -4.060447 1.536282 1.407515


