%chk=000047721.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047721

0 1
 C   -4.053000      0.8601000     -0.1057000    
 C   -2.570000       1.184100      0.1929000    
 C   -4.432900     -0.4439000      0.6128000    
 C   -1.598700      1.2800000E-02  0.1153000    
 C   -3.571700      -1.618500      0.1641000    
 C   -2.098800      -1.302800      0.1219000    
 C   -4.285900      0.7534000      -1.626200    
 C   -4.936400       2.002800      0.4304000    
 C  -0.1830000      0.2431000      9.1899998E-02
 C   0.7249000     -0.8519000      1.4500000E-02
 C   -1.207000      -2.369800      3.9000001E-02
 C   0.1669000      -2.147500     -1.7100001E-02
 C    2.149800     -0.6195000     -2.4300000E-02
 C   0.3650000       1.539100      0.1505000    
 C    2.636300      0.7093000      2.8300000E-02
 C    1.738100       1.768700      0.1181000    
 C    3.130200      -1.642700     -0.1111000    
 C    4.016300      0.9762000     -5.5000000E-03
 C    4.500500      -1.367300     -0.1446000    
 C    4.944000     -5.6100000E-02 -9.1899998E-02
 C    4.565200       2.370300      4.6799999E-02
 H   -2.486600       1.591800       1.209700    
 H   -2.255400       1.969800     -0.5049000    
 H   -5.489900     -0.6869000      0.4470000    
 H   -4.312600     -0.3099000       1.696900    
 H   -3.885000      -1.951700     -0.8329000    
 H   -3.748400      -2.455400      0.8515000    
 H   -3.624700      2.1299999E-02  -2.099900    
 H   -5.319100      0.4609000      -1.844600    
 H   -4.103800       1.715600      -2.118900    
 H   -5.995800       1.813200      0.2239000    
 H   -4.825300       2.117300       1.514600    
 H   -4.670300       2.959300     -3.3500001E-02
 H   -1.575300      -3.393000      1.8200001E-02
 H   0.7942000      -3.032900     -7.8199998E-02
 H  -0.2714000       2.417400      0.2313000    
 H    2.061800       2.805200      0.1676000    
 H    2.847200      -2.691100     -0.1566000    
 H    5.215000      -2.182600     -0.2121000    
 H    6.011900      0.1418000     -0.1189000    
 H    4.210600       2.957300     -0.8071000    
 H    4.278200       2.863500      0.9815000    
 H    5.660300       2.382600      5.7999999E-03


%chk=000047721-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047721

0 1
C -4.070243 0.872040 -0.098336
C -2.581026 1.192903 0.218842
C -4.456989 -0.437722 0.640786
C -1.624554 0.002950 0.131139
C -3.606204 -1.633048 0.170483
C -2.115725 -1.318288 0.114727
C -4.264801 0.715906 -1.631035
C -4.959207 2.034330 0.408492
C -0.197163 0.232429 0.097078
C 0.727543 -0.872345 0.010072
C -1.191974 -2.403980 0.036015
C 0.185937 -2.194172 -0.022595
C 2.172829 -0.622035 -0.033470
C 0.345714 1.571793 0.163152
C 2.664978 0.734012 0.028960
C 1.707358 1.809848 0.133420
C 3.125139 -1.683545 -0.136980
C 4.082273 1.000617 -0.010142
C 4.497924 -1.417430 -0.175578
C 4.974214 -0.078167 -0.111573
C 4.615037 2.422034 0.057837
H -2.519840 1.627359 1.240029
H -2.250204 1.994432 -0.471069
H -5.532557 -0.653450 0.484990
H -4.309589 -0.284864 1.729577
H -3.945541 -1.959127 -0.834711
H -3.770359 -2.501919 0.837628
H -3.552282 -0.007416 -2.066017
H -5.290595 0.372221 -1.864762
H -4.108089 1.685127 -2.141258
H -6.017781 1.871618 0.130506
H -4.907379 2.125755 1.510350
H -4.639798 2.999908 -0.028649
H -1.585172 -3.428514 0.024287
H 0.848576 -3.062037 -0.082451
H -0.337635 2.421043 0.250138
H 2.073135 2.839926 0.189978
H 2.789046 -2.722805 -0.189687
H 5.213147 -2.243686 -0.255910
H 6.053041 0.114840 -0.142198
H 4.241621 3.042026 -0.779395
H 4.315630 2.927991 0.995516
H 5.716965 2.426843 0.012315


