%chk=000041718.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041718

0 1
 S   -2.296300     -0.1389000     -0.8637000    
 S   0.6321000     -0.1137000      -1.500200    
 S    4.119100      0.2647000      -1.531800    
 P    2.484300      6.4199999E-02 -0.4684000    
 O   -2.467500      -1.467900      -1.418400    
 O   -2.568000       1.045300      -1.655400    
 O    2.578800      -1.170100      0.5984000    
 O    2.342200       1.316200      0.5740000    
 C   -3.295300     -4.0899999E-02  0.6012000    
 C   -2.925600      -1.200000       1.531000    
 C   -3.025500       1.296800       1.296000    
 C   -4.770400     -0.1376000      0.2020000    
 C  -0.6388000     -1.1600000E-02 -0.2175000    
 C    2.716000      -2.504100      0.1383000    
 C    2.225600       2.647000      9.9699996E-02
 C    2.778600      -3.433300       1.331700    
 C    2.110500       3.584000       1.283100    
 H   -1.924300      -1.099500       1.958800    
 H   -3.616800      -1.239400       2.381800    
 H   -2.982100      -2.170500       1.026800    
 H   -3.162500       2.148900      0.6217000    
 H   -3.718600       1.435900       2.134700    
 H   -2.019100       1.360200       1.719100    
 H   -4.986400      -1.082100     -0.3098000    
 H   -5.056600      0.6743000     -0.4760000    
 H   -5.422700     -8.0499999E-02   1.080700    
 H  -0.5248000      0.9491000      0.2832000    
 H  -0.4595000     -0.8297000      0.4789000    
 H    1.860800      -2.763700     -0.4924000    
 H    3.631600      -2.601300     -0.4517000    
 H    3.106500       2.914300     -0.4899000    
 H    1.338300       2.734700     -0.5337000    
 H    2.883800      -4.473800       1.012000    
 H    3.624000      -3.174700       1.977900    
 H    1.872900      -3.340200       1.940000    
 H    2.018000       4.622300      0.9523000    
 H    1.237600       3.328400       1.892900    
 H    2.988500       3.496300       1.931500    


%chk=000041718-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041718

0 1
S -2.009631 -0.339616 -1.001092
S 0.840144 0.478235 -2.265403
S 4.263826 -0.005520 -1.062480
P 2.294464 0.064216 -0.466375
O -1.303936 -1.816119 -1.074990
O -3.241401 0.024279 -2.022247
O 1.615202 -1.242070 0.416583
O 1.795981 1.277576 0.678665
C -2.727591 -0.093191 0.907775
C -1.545480 -0.359048 1.839059
C -3.281967 1.333735 0.931002
C -3.820281 -1.168112 0.971503
C -0.611758 1.084692 -1.326847
C 1.573971 -2.597877 -0.244790
C 2.578486 2.552577 0.728810
C 1.328248 -3.598067 0.878246
C 2.011150 3.345324 1.901731
H -0.748645 0.401604 1.762148
H -1.915079 -0.355482 2.883452
H -1.092629 -1.344518 1.638117
H -3.984160 1.497762 0.094253
H -3.837335 1.483873 1.876919
H -2.484254 2.097383 0.890501
H -3.396584 -2.178269 0.836155
H -4.591053 -1.002576 0.198482
H -4.306290 -1.123741 1.965342
H -1.185371 1.806342 -1.926270
H -0.319505 1.464577 -0.335820
H 0.740543 -2.576848 -0.968116
H 2.542268 -2.776619 -0.750949
H 3.647109 2.307320 0.869454
H 2.456529 3.087770 -0.232505
H 1.271418 -4.615840 0.449666
H 2.140033 -3.573248 1.624637
H 0.369468 -3.387907 1.381428
H 2.560851 4.299300 2.001893
H 0.943071 3.577427 1.748555
H 2.118589 2.779776 2.842305


