%chk=000044311.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044311

0 1
 C   -1.879900     -0.3111000      3.0000001E-04
 C   0.9498000      0.1358000     -9.9999997E-05
 C   -1.377200       1.002500       0.000000    
 C   0.4144000      -1.175600      9.9999997E-05
 C  -0.9763000      -1.382200      3.0000001E-04
 C   1.6400000E-02   1.203900     -9.9999997E-05
 C   -3.269800     -0.5192000      3.9999999E-04
 C    2.380200      0.3107000     -9.9999997E-05
 C   -4.151700      0.5613000      3.9999999E-04
 C    3.218300     -0.8349000       0.000000    
 C   -2.278700       2.081100       0.000000    
 C    1.271900      -2.279100      3.0000001E-04
 C   -1.463100      -2.807900      9.9999997E-05
 C   0.4173000       2.651200      3.0000001E-04
 C   -3.656400       1.860900      3.9999999E-04
 C    2.652500      -2.111700      3.0000001E-04
 C   -3.916600      -1.873400     -1.3000000E-03
 C    3.028800       1.571300     -3.9999999E-04
 C    4.617100     -0.6991000       0.000000    
 C   -5.633800      0.3658000     -5.0000002E-04
 C    4.421200       1.692700     -3.0000001E-04
 C    5.215600      0.5569000     -9.9999997E-05
 H   -2.037100       3.132800     -1.3000000E-03
 H   0.9898000      -3.320600     -2.4400000E-02
 H   -2.064400      -3.019800      0.8822000    
 H   -1.897000      -3.073400     -0.9657000    
 H  -0.7318000      -3.599300      0.1321000    
 H   0.9612000       2.871200      0.9258000    
 H   0.9583000       2.873100     -0.9265000    
 H  -0.3214000       3.443700      3.4000000E-03
 H   -4.327900       2.715800     -3.0000001E-04
 H    3.285300      -2.997700     -4.6999999E-03
 H   -3.806600      -2.380300      0.9593000    
 H   -3.669800      -2.459700     -0.8853000    
 H   -5.005100      -1.847900     -0.1016000    
 H    2.586800       2.545100     -1.8000000E-03
 H    5.258400      -1.578700      1.9999999E-04
 H   -5.968200     -0.1243000     -0.9209000    
 H   -5.962500     -0.1939000      0.8817000    
 H   -6.159400       1.327500      4.0500000E-02
 H    4.882800       2.676400     -7.9999998E-04
 H    6.297700      0.6459000     -9.9999997E-05


%chk=000044311-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044311

0 1
C -1.911444 -0.366527 0.104231
C 0.937669 0.153459 0.133469
C -1.380171 0.983172 0.283648
C 0.407992 -1.204542 0.244681
C -0.992604 -1.461139 0.282710
C 0.036254 1.232393 0.350603
C -3.328697 -0.528135 -0.199307
C 2.382917 0.321032 -0.125544
C -4.202632 0.573555 -0.093667
C 3.270341 -0.804350 0.034266
C -2.312828 2.072013 0.378295
C 1.353328 -2.301678 0.377714
C -1.471207 -2.861952 0.655035
C 0.502894 2.627654 0.749959
C -3.679502 1.865190 0.237791
C 2.715713 -2.107966 0.329507
C -3.898045 -1.824204 -0.768353
C 2.956238 1.532077 -0.625488
C 4.673089 -0.652433 -0.176074
C -5.690041 0.444605 -0.380500
C 4.337456 1.660647 -0.851554
C 5.212850 0.571320 -0.596345
H -1.943140 3.088687 0.533373
H 0.967844 -3.315388 0.513162
H -2.520046 -2.855862 0.978638
H -1.372656 -3.595157 -0.169636
H -0.880042 -3.247874 1.505023
H 1.542505 2.616596 1.109007
H 0.435024 3.366630 -0.073275
H -0.122898 3.008262 1.577049
H -4.372760 2.710810 0.320950
H 3.403633 -2.953337 0.450243
H -4.448253 -2.424688 -0.016531
H -3.116927 -2.462234 -1.206050
H -4.620158 -1.592263 -1.572151
H 2.307025 2.368834 -0.889718
H 5.323975 -1.522816 -0.028907
H -5.889344 0.303768 -1.461927
H -6.142647 -0.417909 0.142253
H -6.229109 1.353796 -0.063530
H 4.736744 2.603480 -1.241695
H 6.290755 0.678277 -0.759555


