%chk=000104320.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104320

0 1
 S    5.711400       1.085100      0.1728000    
 O   -3.225000       1.889800     -0.2419000    
 O   -1.725100      -2.651100     -0.3303000    
 O   -4.047800      0.4615000       1.360700    
 O   -3.218700      -2.051200       1.311200    
 O    3.227800       2.650500      2.0000000E-02
 C   -2.415400     -0.3610000     -0.2864000    
 C  -0.9573000      0.1178000     -0.2040000    
 C   -2.976800     -0.5171000      -1.719000    
 C   -3.325400      0.6825000      0.3970000    
 C   -2.518300      -1.764600      0.3486000    
 C  -0.4063000      0.3176000       1.037300    
 C  -0.2709000      0.3232000      -1.374700    
 C    1.646900      0.9708000     -5.5599999E-02
 C   0.9174000      0.7512000       1.112800    
 C    1.052800      0.7567000      -1.299400    
 C    3.026400       1.424500      2.2399999E-02
 C   -4.039300       2.941400      0.2864000    
 C   -1.745500      -3.998200      0.1525000    
 C    4.145700      0.4604000      8.3800003E-02
 C   -3.811300       4.197600     -0.5270000    
 C  -0.8228000      -4.841800     -0.7010000    
 C    4.062600     -0.8829000      7.7200003E-02
 C    5.363200      -1.460100      0.1498000    
 C    6.351800     -0.5026000      0.2068000    
 H   -4.023700     -0.8462000      -1.684300    
 H   -2.435600      -1.266500      -2.308700    
 H   -2.964000      0.4231000      -2.283100    
 H  -0.9641000      0.1481000       1.952800    
 H  -0.6876000      0.1696000      -2.362100    
 H    1.370000      0.9147000       2.087500    
 H    1.612300      0.9248000      -2.216200    
 H   -3.767300       3.123100       1.332100    
 H   -5.094000       2.650000      0.2295000    
 H   -2.766500      -4.391400      9.3900003E-02
 H   -1.406700      -4.017400       1.194200    
 H   -4.061300       4.025900      -1.579100    
 H   -2.756800       4.490900     -0.4949000    
 H   -4.419600       5.024100     -0.1493000    
 H   0.1989000      -4.449100     -0.6673000    
 H   -1.138100      -4.817300      -1.749300    
 H  -0.8138000      -5.880400     -0.3587000    
 H    3.149700      -1.461800      2.4900001E-02
 H    5.563600      -2.523600      0.1596000    
 H    7.419600     -0.6595000      0.2668000    


%chk=000104320-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104320

0 1
S 6.185184 2.199587 0.812249
O -3.192197 1.176185 -0.407859
O -2.919469 -2.683884 -0.550810
O -2.645091 -0.258725 1.337490
O -0.625414 -2.828382 -0.211336
O 3.925445 2.834924 -1.100628
C -1.674238 -0.655081 -0.918812
C -0.264061 -0.030403 -0.799865
C -2.281510 -0.557867 -2.343468
C -2.559064 0.068908 0.131472
C -1.633955 -2.155968 -0.507771
C 0.432906 -0.108959 0.433969
C 0.347542 0.650673 -1.881875
C 2.335081 1.117479 -0.517015
C 1.716267 0.451355 0.574317
C 1.625662 1.224429 -1.739790
C 3.680579 1.781852 -0.423607
C -3.978990 2.016014 0.554865
C -3.059612 -4.115074 -0.135222
C 4.720672 1.192985 0.441486
C -4.546726 3.183348 -0.243777
C -4.537407 -4.466989 -0.263241
C 4.852045 -0.089724 0.984415
C 6.076826 -0.292318 1.705160
C 6.891851 0.834376 1.717276
H -3.278593 -1.023166 -2.357576
H -1.638300 -1.085584 -3.069657
H -2.387228 0.494475 -2.648669
H -0.034404 -0.607194 1.289082
H -0.166625 0.739574 -2.842606
H 2.220218 0.405519 1.544892
H 2.092885 1.766895 -2.568136
H -3.295679 2.340381 1.360178
H -4.763963 1.379506 1.001043
H -2.688929 -4.205610 0.901519
H -2.415004 -4.729208 -0.789652
H -5.209414 2.826444 -1.050524
H -3.738166 3.783545 -0.694265
H -5.134541 3.839077 0.424165
H -4.883474 -4.350928 -1.304581
H -5.152502 -3.819852 0.384695
H -4.697604 -5.517399 0.040960
H 4.104141 -0.871625 0.836535
H 6.346348 -1.233081 2.190552
H 7.863609 0.960592 2.192721


