%chk=000017894.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017894

0 1
 N   -2.705700      0.8016000      0.3784000    
 N  -0.5577000       1.190900       1.001300    
 N   -1.179500     -0.8373000     -0.1848000    
 C   -3.788900      8.1299998E-02 -0.2053000    
 C    1.575200      0.5524000     -9.4800003E-02
 C    1.328300     -0.9112000     -2.8100001E-02
 C   0.7285000       1.499200      0.5129000    
 C   -1.417900      0.3095000      0.3799000    
 C   5.0299998E-02  -1.503600     -7.9300001E-02
 C    2.748000       1.039600     -0.7220000    
 C   -3.929800      0.4420000      -1.681400    
 C   -5.073100      0.3881000      0.5587000    
 C    1.109800       2.860400      0.5441000    
 C    2.437300      -1.783100      0.1274000    
 C  -6.3900001E-02  -2.911100     -3.4299999E-02
 C    3.101400       2.390100     -0.6998000    
 C    2.288000       3.301700     -4.9300000E-02
 C    2.303200      -3.171300      0.1831000    
 C    1.046300      -3.739000      9.3199998E-02
 H   -3.634800      -1.002000     -0.1243000    
 H   -2.883800       1.737600      0.7309000    
 H  -0.9711000       1.919500       1.576200    
 H    3.421500      0.3600000      -1.242100    
 H   -4.764800     -0.1001000      -2.137400    
 H   -4.108800       1.515100      -1.812800    
 H   -3.020800      0.1895000      -2.238100    
 H   -4.972000      0.1157000       1.615100    
 H   -5.917900     -0.1721000      0.1444000    
 H   -5.319600       1.455100      0.5150000    
 H   0.4587000       3.596800       1.012300    
 H    3.446700      -1.385100      0.2221000    
 H   -1.049000      -3.372900     -8.9599997E-02
 H    4.014800       2.720800      -1.185100    
 H    2.553700       4.353700     -2.2299999E-02
 H    3.181600      -3.798800      0.2985000    
 H   0.9247000      -4.816800      0.1321000    


%chk=000017894-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017894

0 1
N -2.743484 0.841793 0.396171
N -0.512502 1.186997 1.047270
N -1.174332 -0.781096 -0.235462
C -3.890914 0.069904 -0.134228
C 1.625483 0.572057 -0.077180
C 1.360805 -0.899516 -0.020071
C 0.755483 1.549446 0.493497
C -1.436920 0.360018 0.353355
C 0.049443 -1.481124 -0.108949
C 2.834027 1.046705 -0.660313
C -4.002642 0.200606 -1.672027
C -5.177529 0.519478 0.587078
C 1.133848 2.915076 0.540899
C 2.474657 -1.779041 0.097236
C -0.075316 -2.899867 -0.130360
C 3.213209 2.404535 -0.618886
C 2.367371 3.344922 0.009938
C 2.333531 -3.180636 0.104126
C 1.042942 -3.746256 -0.022314
H -3.671733 -0.986667 0.103093
H -2.875572 1.850501 0.500594
H -0.908641 1.834649 1.732942
H 3.489726 0.326853 -1.161613
H -4.826360 -0.429567 -2.055465
H -4.205346 1.247723 -1.968559
H -3.061345 -0.130528 -2.141553
H -5.089108 0.384376 1.679624
H -6.040086 -0.070867 0.231009
H -5.399576 1.585878 0.382377
H 0.448610 3.643265 0.993496
H 3.474910 -1.347960 0.217331
H -1.086075 -3.306601 -0.236201
H 4.156751 2.723754 -1.073715
H 2.649098 4.402057 0.064885
H 3.216185 -3.820642 0.208759
H 0.910300 -4.834025 -0.031983


