%chk=000025454.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025454

0 1
 S    4.843600      -1.254800      0.1357000    
 O    6.462600      -1.166900      0.2964000    
 O    4.524900      -2.133900     -0.9685000    
 O    4.247000      -1.414300       1.444400    
 C    4.587500      0.4250000     -0.3925000    
 C    3.195100      0.5970000      -1.022100    
 C    2.017600      0.3396000     -7.4199997E-02
 C   0.6501000      0.4734000     -0.7569000    
 C  -0.5670000      0.1430000      0.1129000    
 C   -1.896100      0.2355000     -0.6399000    
 C   -3.080700     -1.6400000E-02  0.2957000    
 C    4.916900       1.385500      0.7569000    
 C   -4.441600      8.8299997E-02 -0.4000000    
 C   -5.669900     -7.5000003E-02  0.5013000    
 C   -6.997900     -1.7400000E-02 -0.2561000    
 C    4.892600       2.850100      0.3464000    
 C   -8.179600     -0.2738000      0.6800000    
 C   -9.505100     -0.1849000     -5.9400000E-02
 H    5.316200      0.5846000      -1.199000    
 H    3.104200       1.607000      -1.438900    
 H    3.105300     -8.3800003E-02  -1.878400    
 H    2.056800       1.036700      0.7700000    
 H    2.077800     -0.6715000      0.3391000    
 H   0.5459000       1.497800      -1.136400    
 H   0.6347000     -0.1841000      -1.635600    
 H  -0.4530000     -0.8694000      0.5197000    
 H  -0.5823000      0.8280000      0.9695000    
 H   -1.908600     -0.4941000      -1.458200    
 H   -1.992900       1.230300      -1.091100    
 H   -2.986000      -1.012200      0.7458000    
 H   -3.049900      0.7072000       1.119700    
 H    4.228200       1.241300       1.597100    
 H    5.918100       1.167800       1.148300    
 H   -4.507200       1.063200     -0.8997000    
 H   -4.483900     -0.6680000      -1.194200    
 H   -5.594300      -1.036300       1.024800    
 H   -5.655100      0.7058000       1.271700    
 H   -7.104300      0.9653000     -0.7312000    
 H   -6.996900     -0.7659000      -1.057700    
 H    5.232600       3.478300       1.176100    
 H    5.553500       3.030600     -0.5072000    
 H    3.882700       3.174900      7.9800002E-02
 H   -8.174300      0.4587000       1.495600    
 H   -8.086500      -1.266900       1.134700    
 H    6.972300      -1.131200     -0.5469000    
 H   -9.644100      0.8086000     -0.4976000    
 H   -9.556000     -0.9258000     -0.8636000    
 H   -10.33600     -0.3720000      0.6281000    


%chk=000025454-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025454

0 1
S 4.933052 -1.319472 -0.110833
O 6.791018 -1.134132 -0.298909
O 4.360384 -2.252726 -1.303630
O 4.616019 -1.745636 1.421240
C 4.605299 0.618450 -0.471560
C 3.206077 0.705484 -1.087501
C 2.024478 0.455494 -0.123744
C 0.666876 0.467790 -0.861347
C -0.538659 0.283361 0.087178
C -1.895118 0.252160 -0.652302
C -3.105945 0.110640 0.297439
C 4.896481 1.361652 0.834586
C -4.461322 0.058714 -0.443089
C -5.674996 -0.051872 0.507356
C -7.029992 -0.113319 -0.233291
C 4.818432 2.894341 0.618300
C -8.244805 -0.206297 0.718266
C -9.593967 -0.271469 -0.029986
H 5.398563 0.771619 -1.225695
H 3.119885 1.722239 -1.524923
H 3.145810 0.000916 -1.940152
H 2.012129 1.225036 0.674078
H 2.152032 -0.521914 0.384205
H 0.554081 1.424073 -1.414972
H 0.660485 -0.338307 -1.623553
H -0.412471 -0.658142 0.660837
H -0.547376 1.104635 0.834329
H -1.897351 -0.588709 -1.376877
H -2.008116 1.179846 -1.252161
H -2.987219 -0.808591 0.908467
H -3.111532 0.960122 1.012375
H 4.185471 1.049598 1.619381
H 5.907863 1.090503 1.187361
H -4.570733 0.968056 -1.070980
H -4.463782 -0.803284 -1.142657
H -5.563185 -0.956673 1.141151
H -5.676142 0.814740 1.201519
H -7.138302 0.785653 -0.876181
H -7.035146 -0.986777 -0.918669
H 5.080809 3.415510 1.555721
H 5.525099 3.229198 -0.163020
H 3.803213 3.216963 0.326012
H -8.239917 0.668482 1.400366
H -8.134772 -1.102603 1.362621
H 7.207474 -2.005614 -0.041057
H -9.743749 0.628387 -0.656364
H -9.634073 -1.153398 -0.697086
H -10.445360 -0.339828 0.672152


