%chk=000049541.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049541

0 1
 N  -6.1500002E-02 -0.2377000     -0.1312000    
 N    3.586400     -0.7061000      0.7762000    
 C    1.340100     -0.6525000     -0.2743000    
 C    1.953400     -0.1821000      -1.601200    
 C    2.205300     -0.2216000      0.9260000    
 C    3.412400     -0.6186000      -1.690900    
 C    4.201000     -0.1870000     -0.4536000    
 C  -0.4867000       1.068200     -6.7500003E-02
 C   -1.126000      -1.103400     -4.2199999E-02
 C   -1.875000       1.044400      6.7699999E-02
 C   -2.279100     -0.3284000      8.3700001E-02
 C    4.387200     -0.3378000       1.943700    
 C   0.2487000       2.258000     -0.1191000    
 C   -1.152800      -2.502500     -6.3800000E-02
 C   -2.565100       2.271700      0.1561000    
 C   -3.523500     -0.9838000      0.1939000    
 C  -0.4575000       3.460500     -2.9800000E-02
 C   -2.397200      -3.128600      4.6599999E-02
 C   -1.843600       3.469700      0.1060000    
 C   -3.566400      -2.382500      0.1738000    
 H    1.349500      -1.747700     -0.2938000    
 H    1.910800      0.9024000      -1.725600    
 H    1.392200     -0.6064000      -2.443100    
 H    2.208900      0.8619000       1.072900    
 H    1.767600     -0.6550000       1.835300    
 H    3.461800      -1.709900      -1.796000    
 H    3.871000     -0.1917000      -2.590100    
 H    5.222700     -0.5744000     -0.5495000    
 H    4.269100      0.9086000     -0.4241000    
 H    5.401200     -0.7438000       1.857900    
 H    3.955800     -0.7639000       2.856300    
 H    4.460100      0.7484000       2.070800    
 H    1.325200       2.292000     -0.2241000    
 H  -0.2570000      -3.104900     -0.1617000    
 H   -3.646100       2.295200      0.2622000    
 H   -4.444100     -0.4157000      0.2935000    
 H   8.3899997E-02   4.402400     -6.6900000E-02
 H   -2.452300      -4.214200      3.3000000E-02
 H   -2.372200       4.416800      0.1737000    
 H   -4.523400      -2.890400      0.2583000    


%chk=000049541-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049541

0 1
N -0.017783 -0.175928 -0.138897
N 3.624279 -0.742331 0.765894
C 1.388516 -0.601003 -0.293772
C 2.024795 -0.136257 -1.627834
C 2.262308 -0.181524 0.916857
C 3.479922 -0.649849 -1.716390
C 4.286391 -0.245343 -0.465739
C -0.519753 1.145222 -0.088774
C -1.107352 -1.070253 -0.027314
C -1.952259 1.091364 0.054793
C -2.324482 -0.314765 0.093044
C 4.447618 -0.537581 1.974444
C 0.154138 2.388200 -0.152763
C -1.118213 -2.483336 -0.024693
C -2.702353 2.287426 0.131601
C -3.561725 -0.988109 0.216354
C -0.615890 3.568148 -0.075309
C -2.364988 -3.134006 0.098916
C -2.031028 3.525304 0.065494
C -3.577407 -2.398375 0.218416
H 1.388462 -1.705893 -0.298948
H 2.017408 0.968370 -1.688567
H 1.421862 -0.510003 -2.475559
H 2.283149 0.934521 1.007031
H 1.811293 -0.579531 1.843955
H 3.484187 -1.753799 -1.796812
H 3.970877 -0.246210 -2.622019
H 5.302472 -0.678973 -0.512123
H 4.401306 0.872249 -0.442391
H 5.422542 -1.041394 1.849061
H 3.941640 -0.983499 2.849067
H 4.642065 0.541332 2.201070
H 1.240646 2.454068 -0.254135
H -0.199478 -3.072008 -0.112682
H -3.792070 2.251909 0.241706
H -4.495973 -0.422837 0.309072
H -0.108815 4.538582 -0.123336
H -2.397334 -4.229411 0.103445
H -2.597184 4.461026 0.123877
H -4.526989 -2.935902 0.313059


