%chk=000049540.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049540

0 1
 N  -0.1247000     -0.2358000      1.4000000E-03
 N    4.160800     -7.1199998E-02 -8.9999998E-04
 C    1.288700     -0.6276000      1.3000000E-03
 C    2.033300     -0.1633000       1.261600    
 C    2.031700     -0.1653000      -1.260900    
 C    3.505700     -0.5788000       1.212900    
 C    3.504300     -0.5804000      -1.213200    
 C  -0.5743000       1.063500      6.0000003E-04
 C   -1.179100      -1.118200      8.9999998E-04
 C   -1.968700       1.017900     -9.9999997E-05
 C   -2.351000     -0.3612000      1.9999999E-04
 C    5.579900     -0.4262000     -1.4000000E-03
 C   0.1438000       2.264800      3.9999999E-04
 C   -1.181900      -2.517800      7.9999998E-04
 C   -2.683200       2.234300     -6.9999998E-04
 C   -3.589800      -1.036100     -3.0000001E-04
 C  -0.5864000       3.456400     -5.0000002E-04
 C   -2.421300      -3.163300     -3.9999999E-04
 C   -1.979100       3.443700     -8.9999998E-04
 C   -3.608800      -2.435500     -8.9999998E-04
 H    1.320700      -1.722000      2.2000000E-03
 H    1.563500     -0.6067000       2.148800    
 H    1.984500      0.9188000       1.405900    
 H    1.982600      0.9166000      -1.406800    
 H    1.561000     -0.6102000      -2.146900    
 H    4.003800     -0.1730000       2.102000    
 H    3.581800      -1.672800       1.269700    
 H    3.580500      -1.674500      -1.268700    
 H    4.001400     -0.1757000      -2.103400    
 H    6.082300     -4.8000002E-03  0.8764000    
 H    6.081300     -6.0999999E-03 -0.8804000    
 H    5.735600      -1.511100     -6.9999998E-04
 H    1.224700       2.316300      5.0000002E-04
 H  -0.2714000      -3.105900      1.2000001E-03
 H   -3.769600       2.241000     -1.1000000E-03
 H   -4.524500     -0.4825000     -7.9999998E-04
 H  -5.8600001E-02   4.406700     -8.9999998E-04
 H   -2.458000      -4.249600     -6.9999998E-04
 H   -2.526500       4.382500     -1.4000000E-03
 H   -4.561400      -2.958400     -1.6000000E-03


%chk=000049540-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049540

0 1
N -0.085723 -0.206546 0.000048
N 4.231980 -0.154226 -0.000333
C 1.334599 -0.617410 -0.000031
C 2.090866 -0.166059 1.275188
C 2.090616 -0.166209 -1.275443
C 3.554964 -0.646960 1.222414
C 3.554729 -0.647097 -1.222898
C -0.592635 1.113335 -0.000337
C -1.177892 -1.103473 0.000237
C -2.032006 1.056479 -0.000280
C -2.403160 -0.350541 0.000088
C 5.676780 -0.456706 -0.000454
C 0.083758 2.356799 -0.000744
C -1.186767 -2.516833 0.000596
C -2.787911 2.251385 -0.000580
C -3.644838 -1.026837 0.000294
C -0.692647 3.535190 -0.001050
C -2.438270 -3.170480 0.000799
C -2.114699 3.490114 -0.000960
C -3.657914 -2.437287 0.000650
H 1.331397 -1.724993 0.000063
H 1.589415 -0.577981 2.170755
H 2.079706 0.934221 1.359591
H 2.079412 0.934067 -1.359958
H 1.588994 -0.578237 -2.170868
H 4.103554 -0.268530 2.104709
H 3.579762 -1.769967 1.273874
H 3.579521 -1.770109 -1.274235
H 4.103150 -0.268762 -2.105338
H 6.150143 -0.012276 0.893200
H 6.149952 -0.012457 -0.894299
H 5.901056 -1.554026 -0.000366
H 1.174716 2.425809 -0.000842
H -0.263040 -3.104618 0.000735
H -3.883125 2.214468 -0.000533
H -4.584850 -0.463478 0.000178
H -0.184654 4.506296 -0.001366
H -2.468755 -4.266007 0.001086
H -2.685339 4.424989 -0.001208
H -4.611244 -2.976547 0.000817


