%chk=000104017.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104017

0 1
 O  -6.0000003E-04  -3.887800     -5.0000002E-04
 C   0.7248000     -0.5560000     -6.1700001E-02
 C  -0.7251000     -0.5558000      6.0500000E-02
 C    1.197100      -1.811200     -0.1018000    
 C   -1.197600      -1.810800      0.1011000    
 C  -3.9999999E-04  -2.670200     -1.9999999E-04
 C    2.564400      -2.367000     -0.2331000    
 C   -2.565000      -2.366300      0.2338000    
 C    1.582500      0.6310000     -0.1424000    
 C   -1.582400      0.6316000      0.1419000    
 C    3.202500      -2.563200       1.130700    
 C   -3.204300      -2.562200      -1.129600    
 C    2.093500       1.206400       1.022800    
 C   -2.093100       1.207900      -1.023100    
 C    1.890800       1.189500      -1.384600    
 C   -1.890300       1.189600       1.384500    
 C    2.909000       2.335500      0.9462000    
 C   -2.908000       2.337300     -0.9458000    
 C    2.706400       2.318500      -1.461100    
 C   -2.705500       2.318900       1.461600    
 C    3.215500       2.891400     -0.2957000    
 C   -3.214200       2.892700      0.2965000    
 H    2.537700      -3.321000     -0.7718000    
 H    3.192800      -1.697900     -0.8321000    
 H   -2.538200      -3.320400      0.7725000    
 H   -3.192700      -1.697000      0.8333000    
 H    4.208000      -2.981700       1.018100    
 H    2.619200      -3.254900       1.748100    
 H    3.294300      -1.617100       1.673900    
 H   -4.209800      -2.980500      -1.016200    
 H   -2.621600      -3.254100      -1.747400    
 H   -3.296200      -1.616000      -1.672600    
 H    1.863000      0.7858000       1.998800    
 H   -1.862700      0.7877000      -1.999300    
 H    1.501200      0.7552000      -2.302400    
 H   -1.501000      0.7545000       2.301900    
 H    3.305100       2.782000       1.853600    
 H   -3.304000       2.784400      -1.852900    
 H    2.944800       2.751700      -2.428000    
 H   -2.943700       2.751600       2.428800    
 H    3.850400       3.770600     -0.3553000    
 H   -3.848800       3.772100      0.3566000    


%chk=000104017-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104017

0 1
O -0.001498 -3.942502 -0.000664
C 0.750329 -0.489205 -0.182071
C -0.750915 -0.488764 0.182229
C 1.189022 -1.789935 -0.289682
C -1.190477 -1.789266 0.289371
C -0.001108 -2.678363 -0.000363
C 2.567738 -2.363134 -0.486171
C -2.569690 -2.361468 0.485536
C 1.566412 0.737118 -0.311055
C -1.566187 0.738103 0.311740
C 3.127915 -3.005689 0.814857
C -3.129946 -3.003103 -0.815982
C 1.495464 1.768012 0.669799
C -1.495387 1.768754 -0.669363
C 2.455214 0.911494 -1.410813
C -2.453611 0.913405 1.412449
C 2.302803 2.919794 0.566044
C -2.301777 2.921154 -0.565042
C 3.252595 2.070233 -1.520024
C -3.249962 2.072813 1.522266
C 3.184829 3.077601 -0.528576
C -3.182513 3.079864 0.530487
H 2.525165 -3.146610 -1.268650
H 3.266457 -1.584047 -0.836576
H -2.527905 -3.145364 1.267588
H -3.267860 -1.581953 0.836011
H 4.132974 -3.427782 0.632213
H 2.470088 -3.820670 1.161544
H 3.210596 -2.253734 1.620229
H -4.135135 -3.425066 -0.633709
H -2.472298 -3.818118 -1.162968
H -3.212302 -2.250656 -1.620906
H 0.816353 1.655797 1.521087
H -0.817188 1.655841 -1.521282
H 2.490567 0.148005 -2.195837
H -2.488602 0.150194 2.197750
H 2.240418 3.696102 1.336655
H -2.239653 3.697253 -1.335885
H 3.922162 2.189759 -2.379140
H -3.918443 2.193083 2.382122
H 3.805694 3.976527 -0.612129
H -3.802543 3.979323 0.614512


