%chk=000049971.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049971

0 1
 N  -0.5724000      0.6200000     -3.0000001E-04
 N  -0.5085000      -1.621300       0.000000    
 N    1.820700       1.090200     -5.0000002E-04
 N    4.195100       1.184400      7.9999998E-04
 C   -1.303300     -0.5674000       0.000000    
 C   0.7557000      0.2669000     -5.0000002E-04
 C   0.7689000      -1.121200     -9.9999997E-05
 C   -2.741200     -0.4754000      3.0000001E-04
 C   -1.156500       1.881700     -1.9999999E-04
 C   -3.291300      0.7625000      3.9999999E-04
 C    2.012500      -1.766300      9.9999997E-05
 C   -2.493800       1.977200      1.9999999E-04
 C   -3.634400      -1.689000       0.000000    
 C    2.997400      0.4197000     -1.9999999E-04
 C    3.151100     -0.9620000       0.000000    
 H  -0.5066000       2.748100     -3.9999999E-04
 H   -4.368800      0.8983000      5.0000002E-04
 H    2.091900      -2.847800      6.9999998E-04
 H   -2.998100       2.935800      1.9999999E-04
 H   -4.697600      -1.426200      9.9999997E-05
 H   -3.440800      -2.299700      0.8881000    
 H   -3.440800      -2.299500     -0.8883000    
 H    4.133800      -1.424700      1.3000000E-03
 H    4.093100       2.191900     -5.2999998E-03
 H    5.021300      0.7839000     -0.4262000    


%chk=000049971-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049971

0 1
N -0.581496 0.662867 -0.015647
N -0.569199 -1.663384 -0.004545
N 1.845243 1.083652 -0.041847
N 4.183950 1.220769 -0.066636
C -1.357454 -0.556414 -0.002855
C 0.764649 0.270549 -0.027272
C 0.740782 -1.163478 -0.020642
C -2.788874 -0.449564 0.010648
C -1.154408 1.926355 -0.015293
C -3.349212 0.830940 0.010707
C 2.001905 -1.815531 -0.030828
C -2.535145 2.020845 -0.002215
C -3.602181 -1.721669 0.024016
C 3.044698 0.427822 -0.051533
C 3.151729 -1.012471 -0.046540
H -0.464388 2.772438 -0.025650
H -4.439741 0.933952 0.020955
H 2.069966 -2.907249 -0.026822
H -3.000330 3.009794 -0.001829
H -4.683710 -1.505037 0.032614
H -3.352140 -2.335767 0.908418
H -3.367746 -2.344039 -0.858847
H 4.146109 -1.471300 -0.055532
H 4.070381 2.231202 -0.068398
H 5.114010 0.814820 -0.073726


