%chk=000043363.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043363

0 1
 S    2.680900       1.614400     -0.2520000    
 S    2.688400      -1.362800     -0.3101000    
 O  -6.4800002E-02  -2.260800      1.0700000E-02
 C   -1.910300      0.6512000      0.6532000    
 C   -1.876700     -0.6193000     -0.2408000    
 C  -0.6133000       1.220900     -1.4000000E-03
 C   0.4476000      0.1113000      0.2702000    
 C   -1.805700     -5.8200002E-02  -1.680700    
 C  -0.9848000       1.238100      -1.506200    
 C  -0.4430000      -1.099200      2.2100000E-02
 C   -1.784300      0.3844000       2.167000    
 C   -3.165900       1.529900      0.4732000    
 C   -2.939900      -1.667600     -1.5699999E-02
 C    1.688400      0.1266000     -0.6127000    
 C    4.218000      0.7672000      0.2088000    
 C    3.865400     -0.5759000      0.8144000    
 H  -0.3177000       2.203500      0.3757000    
 H   0.7270000      0.1163000       1.331100    
 H   -2.796400      0.1610000      -2.092800    
 H   -1.301600     -0.7476000      -2.368000    
 H  -0.1358000       1.290300      -2.189700    
 H   -1.605700       2.111100      -1.737800    
 H   -2.739000      3.8500000E-02   2.580600    
 H   -1.507000       1.303300       2.695500    
 H   -1.052500     -0.3839000       2.430000    
 H   -4.045400       1.046800      0.9141000    
 H   -3.421700       1.743000     -0.5669000    
 H   -3.028500       2.494400      0.9752000    
 H   -3.942700      -1.261400     -0.1808000    
 H   -2.805100      -2.513700     -0.6987000    
 H   -2.897100      -2.066200       1.003300    
 H    1.450800      0.1022000      -1.677300    
 H    4.777300       1.381900      0.9204000    
 H    4.838900      0.6496000     -0.6864000    
 H    4.755000      -1.203000      0.9241000    
 H    3.407500     -0.4654000       1.803300    


%chk=000043363-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043363

0 1
S 2.588886 1.611288 -0.086337
S 2.812014 -1.464269 0.317808
O -0.226260 -2.411420 -0.086996
C -1.989927 0.633882 0.683349
C -1.984740 -0.641847 -0.251485
C -0.622004 1.184223 0.117973
C 0.344547 -0.015096 0.391017
C -1.787055 0.007153 -1.680602
C -0.890890 1.266581 -1.414857
C -0.579568 -1.214579 0.028830
C -1.969139 0.287164 2.194921
C -3.181405 1.590860 0.444116
C -3.120318 -1.655370 -0.153670
C 1.693864 -0.045233 -0.337156
C 4.317979 0.853676 -0.084255
C 4.276792 -0.371201 0.830091
H -0.279652 2.127052 0.575546
H 0.567076 -0.060937 1.474425
H -2.776534 0.280351 -2.089568
H -1.330532 -0.707899 -2.388000
H 0.043415 1.258263 -2.001117
H -1.416383 2.201659 -1.672941
H -2.978616 -0.013506 2.530480
H -1.671256 1.170606 2.790415
H -1.285756 -0.540652 2.451720
H -4.129352 1.107951 0.746022
H -3.290049 1.912026 -0.604828
H -3.063000 2.501655 1.061499
H -4.080910 -1.211574 -0.473117
H -2.911542 -2.529921 -0.795527
H -3.237043 -2.031818 0.878763
H 1.586401 -0.224685 -1.418148
H 4.996431 1.636655 0.296970
H 4.597818 0.584324 -1.115467
H 5.179452 -0.995555 0.709775
H 4.157555 -0.078905 1.885249


