%chk=000097439.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097439

0 1
 S    3.940100      -1.262900       1.061900    
 S   -3.940000      -1.263500      -1.061300    
 O    1.136800       2.027000      0.2965000    
 O   -1.136600       2.027100     -0.2973000    
 O    2.889200     -0.2379000      0.3425000    
 O   -2.889100     -0.2381000     -0.3423000    
 O    3.975600     -0.9437000       2.476700    
 O    3.680000      -2.611100      0.5965000    
 O   -3.975300     -0.9452000      -2.476300    
 O   -3.680000      -2.611500     -0.5948000    
 C   0.7479000      0.7140000     -0.1226000    
 C  -0.7480000      0.7142000      0.1225000    
 C   9.9999997E-05   2.854800     -9.9999997E-05
 C    1.510300     -0.3318000      0.6654000    
 C   -1.510300     -0.3321000     -0.6650000    
 C   0.3071000       3.714400      -1.219600    
 C  -0.3069000       3.713700       1.220100    
 C    5.509800     -0.8125000      0.3920000    
 C   -5.509700     -0.8128000     -0.3919000    
 C    6.269800      0.1520000       1.033300    
 C   -6.269700      0.1514000      -1.033900    
 C    5.956200      -1.431500     -0.7642000    
 C   -5.956400      -1.430900      0.7647000    
 C    7.510400      0.5076000      0.5038000    
 C   -7.510400      0.5073000     -0.5048000    
 C    7.196700      -1.076100      -1.293700    
 C   -7.197000      -1.075200       1.293800    
 C    7.973800     -0.1065000     -0.6597000    
 C   -7.974000     -0.1060000      0.6590000    
 C    9.300700      0.2724000      -1.225200    
 C   -9.300900      0.2732000       1.224000    
 H   0.9864000      0.6408000      -1.191500    
 H  -0.9865000      0.6415000       1.191400    
 H    1.153000      -1.337400      0.4219000    
 H    1.393600     -0.1602000       1.741300    
 H   -1.153000      -1.337600     -0.4208000    
 H   -1.393400     -0.1610000      -1.741000    
 H    1.188300       4.342300      -1.051900    
 H  -0.5446000       4.350600      -1.482400    
 H   0.5198000       3.084200      -2.090700    
 H  -0.5195000       3.083000       2.090800    
 H   -1.188200       4.341600       1.052800    
 H   0.5448000       4.349800       1.483200    
 H    5.924000      0.6472000       1.935400    
 H   -5.923800      0.6460000      -1.936300    
 H    5.363900      -2.182200      -1.278300    
 H   -5.364200      -2.181300       1.279500    
 H    8.106800       1.264100       1.006900    
 H   -8.106600       1.263400      -1.008600    
 H    7.547100      -1.561600      -2.200800    
 H   -7.547500      -1.560000       2.201100    
 H    9.310700      0.1659000      -2.315300    
 H    9.540800       1.317900      -1.003700    
 H    10.08450     -0.3644000     -0.8033000    
 H   -9.310800      0.1680000       2.314300    
 H   -9.541400       1.318300       1.001300    
 H   -10.08460     -0.3643000      0.8029000    


%chk=000097439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097439

0 1
S 3.751763 -1.195556 1.455721
S -3.752190 -1.196041 -1.456285
O 1.118139 2.618409 0.401554
O -1.117298 2.618532 -0.405722
O 2.846654 0.195630 0.577619
O -2.846910 0.196264 -0.580134
O 3.903368 -0.816873 3.023092
O 3.046202 -2.590042 1.018765
O -3.904766 -0.819103 -3.023976
O -3.046020 -2.589865 -1.018190
C 0.777845 1.247999 -0.022868
C -0.777700 1.248256 0.019623
C -0.000180 3.521202 -0.000594
C 1.414940 0.252240 0.941812
C -1.415216 0.252309 -0.944530
C 0.386996 4.351006 -1.226508
C -0.388187 4.346701 1.228044
C 5.380665 -0.973334 0.568037
C -5.380664 -0.973247 -0.567962
C 6.325153 -0.101569 1.131772
C -6.325698 -0.102406 -1.132208
C 5.593343 -1.697924 -0.615045
C -5.592504 -1.696518 0.616080
C 7.557236 0.045708 0.459087
C -7.557457 0.045326 -0.459022
C 6.835203 -1.531668 -1.265006
C -6.834052 -1.529834 1.266522
C 7.829692 -0.661972 -0.742386
C -7.829063 -0.661017 0.743426
C 9.169938 -0.515707 -1.438028
C -9.168965 -0.514303 1.439637
H 1.141236 1.058656 -1.054392
H -1.141177 1.059618 1.051260
H 0.957972 -0.750921 0.813757
H 1.293833 0.603093 1.982995
H -0.958525 -0.750925 -0.816094
H -1.294119 0.602676 -1.985876
H 1.191177 5.060291 -0.966473
H -0.487545 4.917588 -1.590340
H 0.741185 3.691454 -2.035963
H -0.741739 3.684274 2.035443
H -1.193021 5.056090 0.970307
H 0.485840 4.912882 1.593725
H 6.108406 0.431971 2.062349
H -6.109601 0.430103 -2.063526
H 4.824145 -2.372882 -1.003130
H -4.822916 -2.370816 1.004539
H 8.314448 0.721472 0.872113
H -8.315075 0.720406 -0.872420
H 7.032219 -2.083159 -2.191108
H -7.030414 -2.080288 2.193381
H 9.083419 -0.681572 -2.525618
H 9.604820 0.485557 -1.275992
H 9.895484 -1.256139 -1.049037
H -9.081689 -0.678258 2.527458
H -9.604504 0.486438 1.276150
H -9.894332 -1.255813 1.052369


