%chk=000145031.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145031

0 1
 S   0.1809000      0.3510000      -1.289800    
 C   -1.862600       1.594800      8.9400001E-02
 C    2.584400      0.4341000      7.0900001E-02
 C   -1.203000      0.2792000     -0.2224000    
 C    1.358100     -0.3848000     -0.2256000    
 C   -1.683200       2.542500      -1.104300    
 C   -1.217100       2.212000       1.338600    
 C   -3.359500       1.372000      0.3500000    
 C    2.161500       1.748800      0.7406000    
 C    3.329800      0.7389000      -1.236900    
 C    3.512000     -0.3482000       1.012200    
 C   -1.700300     -0.8748000      0.2638000    
 C    1.220000      -1.628600      0.2717000    
 C   -1.190300      -2.221400      3.9600000E-02
 C   0.1175000      -2.541100      4.6200000E-02
 C   -2.248100      -3.274300     -0.1438000    
 H   -2.035300       2.102000      -2.045500    
 H   -2.286000       3.447600     -0.9507000    
 H  -0.6584000       2.908600      -1.235200    
 H  -0.2723000       2.706700       1.115500    
 H   -1.048600       1.471700       2.128900    
 H   -1.865800       2.990700       1.758900    
 H   -3.560700      0.8982000       1.317600    
 H   -3.839200      0.7866000     -0.4438000    
 H   -3.885300       2.335000      0.3846000    
 H    1.564600       1.562600       1.639500    
 H    3.047500       2.309400       1.064500    
 H    1.617900       2.415900      6.5099999E-02
 H    2.773300       1.408100      -1.902200    
 H    3.556000     -0.1785000      -1.793800    
 H    4.285600       1.235000      -1.028200    
 H    3.902700      -1.267900      0.5598000    
 H    3.046200     -0.5744000       1.979200    
 H    4.396400      0.2591000       1.247700    
 H   -2.565100     -0.8824000      0.9204000    
 H    1.967800      -2.110200      0.8916000    
 H   0.4134000      -3.580800     -7.9000004E-02
 H   -2.885300      -3.343500      0.7446000    
 H   -1.816300      -4.266100     -0.3169000    
 H   -2.879600      -3.036600      -1.006900    


%chk=000145031-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145031

0 1
S 0.278376 0.480671 -1.176674
C -2.048411 1.671464 0.053948
C 2.784058 0.375190 0.255089
C -1.315433 0.341828 -0.203233
C 1.495769 -0.404758 -0.063117
C -2.296753 2.386176 -1.310611
C -1.191878 2.599603 0.963279
C -3.420931 1.446447 0.744583
C 2.461558 1.666524 1.061778
C 3.475054 0.775586 -1.085280
C 3.780089 -0.481945 1.082707
C -1.799022 -0.892260 0.125987
C 1.251204 -1.701617 0.294407
C -1.228476 -2.226934 -0.120431
C 0.106754 -2.554062 -0.027850
C -2.259049 -3.318841 -0.378376
H -2.934104 1.769325 -1.969968
H -2.803943 3.354343 -1.140645
H -1.346175 2.586880 -1.836599
H -0.231415 2.843561 0.481417
H -0.980651 2.118489 1.935552
H -1.736625 3.544122 1.150263
H -3.306213 0.973685 1.737224
H -4.092357 0.819899 0.129188
H -3.915878 2.423579 0.892241
H 1.940248 1.426435 2.006178
H 3.400227 2.198945 1.304773
H 1.821318 2.344479 0.474004
H 2.808417 1.396886 -1.710215
H 3.758138 -0.120842 -1.666201
H 4.390075 1.361348 -0.876748
H 4.080688 -1.397430 0.540891
H 3.355026 -0.772853 2.060866
H 4.694471 0.108700 1.274511
H -2.784425 -0.915776 0.614687
H 2.041734 -2.209531 0.864625
H 0.355125 -3.622047 -0.126623
H -2.994982 -3.376849 0.447953
H -1.785735 -4.309987 -0.485072
H -2.832272 -3.111533 -1.302605


