%chk=000049608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049608

0 1
 N   0.5025000     -0.6441000      0.2820000    
 N   -3.078400      0.3876000      0.4232000    
 N   -5.340900      0.8243000      0.1849000    
 N   -4.383200     -0.5455000      -1.364800    
 C    1.658200     -0.3024000       1.108300    
 C    1.905800       1.210100       1.195300    
 C    2.913300      -1.092800      0.7193000    
 C    2.243800       1.937800     -0.1018000    
 C    3.297500      -1.156500     -0.7585000    
 C    3.489200       1.422800     -0.8197000    
 C    3.240300      0.1275000      -1.581100    
 C  -0.6970000      1.1000000E-02  0.7962000    
 C   0.3224000      -2.092500      0.2404000    
 C   -1.891300     -0.3004000     -9.0800002E-02
 C   -4.182200      0.2130000     -0.2330000    
 H    1.441100     -0.6111000       2.143400    
 H    2.750700       1.364700       1.882700    
 H    1.079200       1.728200       1.693900    
 H    2.856300      -2.118100       1.108600    
 H    3.765000     -0.6620000       1.265100    
 H    2.413000       2.993200      0.1481000    
 H    1.381300       1.924100     -0.7786000    
 H    2.720000      -1.921900      -1.287500    
 H    4.332000      -1.526100     -0.7947000    
 H    4.334600       1.323300     -0.1297000    
 H    3.778900       2.185700      -1.554000    
 H    2.269300      0.1845000      -2.089300    
 H    3.984200      4.3000001E-02  -2.383900    
 H  -0.9116000     -0.2825000       1.832500    
 H  -0.6013000       1.100900      0.7827000    
 H  -0.4162000      -2.378700     -0.5151000    
 H  -1.1000000E-03  -2.493400       1.209000    
 H    1.198000      -2.665200     -6.6000000E-02
 H   -1.682200      2.1299999E-02  -1.119100    
 H   -2.114400      -1.371800     -8.9299999E-02
 H   -5.352600       1.417500       1.007600    
 H   -6.215400      0.7004000     -0.3132000    
 H   -5.299600     -0.6083000      -1.795300    
 H   -3.634300      -1.064200      -1.809500    


%chk=000049608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049608

0 1
N 0.574995 -0.879390 0.539809
N -2.952839 0.461234 0.249204
N -5.248149 0.929162 0.037854
N -4.196036 -0.201392 -1.732213
C 1.789336 -0.393287 1.270552
C 1.936985 1.156207 1.309253
C 3.094259 -1.054842 0.730496
C 1.955397 1.909655 -0.040147
C 3.299923 -1.127998 -0.808781
C 3.062860 1.479649 -1.034047
C 2.818003 0.080814 -1.652828
C -0.697769 -0.209821 0.918516
C 0.439621 -2.350953 0.653330
C -1.751212 -0.265210 -0.208713
C -4.050536 0.391194 -0.465640
H 1.716929 -0.706143 2.350726
H 2.888443 1.357657 1.843059
H 1.146071 1.593463 1.949649
H 3.183331 -2.083403 1.133964
H 3.933894 -0.491210 1.183161
H 2.066118 2.991409 0.181438
H 0.975269 1.791060 -0.544035
H 2.793483 -2.030301 -1.204857
H 4.384648 -1.287258 -0.982542
H 4.056427 1.518174 -0.539144
H 3.097043 2.228094 -1.851671
H 1.730354 -0.026255 -1.824520
H 3.312693 0.022597 -2.643981
H -1.146124 -0.640377 1.847649
H -0.516159 0.855636 1.122224
H -0.476729 -2.685468 0.137843
H 0.376435 -2.693518 1.718603
H 1.292665 -2.863136 0.179124
H -1.293423 0.202905 -1.110509
H -1.979560 -1.324420 -0.476231
H -5.171883 1.314448 0.978273
H -5.894913 1.385938 -0.604434
H -5.105431 -0.535343 -2.043323
H -3.369518 -0.536166 -2.218808


