%chk=000015804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015804

0 1
 S    7.712000     -0.1012000     -3.0700000E-02
 O    3.801100     -0.4228000     -7.3000002E-03
 O    5.190300       1.417600      2.1000000E-02
 O    8.573700      -1.473200      0.1612000    
 O    7.875600      0.7206000       1.156100    
 O    7.971700      0.4283000      -1.358600    
 C   -3.695000     -0.4570000      1.9800000E-02
 C   -4.991200      0.3604000      9.4999997E-03
 C   -2.432900      0.4087000      3.2699998E-02
 C   -6.292900     -0.4457000      8.6000003E-02
 C   -1.137300     -0.4091000      3.0300001E-02
 C   -7.551500      0.4223000      1.1700000E-02
 C   0.1258000      0.4557000      1.8700000E-02
 C   -8.850100     -0.3910000     -5.0000002E-04
 C    1.389200     -0.4108000     -1.1600000E-02
 C   -10.10910      0.4713000     -0.1016000    
 C    2.662600      0.4263000      2.4999999E-03
 C   -11.36920     -0.3784000     -3.3399999E-02
 C    5.019100      0.2067000      3.8000001E-03
 C    6.107900     -0.8288000     -9.7000003E-03
 H   -3.679200      -1.112700     -0.8592000    
 H   -3.691300      -1.109200      0.9018000    
 H   -5.008000      0.9722000     -0.9015000    
 H   -4.970700       1.063200      0.8522000    
 H   -2.447400       1.056100      0.9182000    
 H   -2.442000       1.069300     -0.8430000    
 H   -6.304700      -1.024400       1.017600    
 H   -6.307000      -1.170700     -0.7371000    
 H   -1.122800      -1.060300      0.9131000    
 H   -1.132400      -1.066300     -0.8482000    
 H   -7.510300       1.038400     -0.8951000    
 H   -7.564100       1.113200      0.8636000    
 H   0.1122000       1.115500     -0.8570000    
 H   0.1385000       1.096600      0.9084000    
 H   -8.827000      -1.093700     -0.8426000    
 H   -8.896800     -0.9955000      0.9139000    
 H    1.387600      -1.051100     -0.9026000    
 H    1.398600      -1.093800      0.8472000    
 H   -10.09890       1.033900      -1.042100    
 H   -10.12440       1.202500      0.7149000    
 H    2.687200       1.076800     -0.8799000    
 H    2.684800       1.050500      0.9037000    
 H   -11.42290     -0.9259000      0.9130000    
 H   -12.25790      0.2558000     -0.1098000    
 H   -11.39770      -1.103800     -0.8528000    
 H    6.012400      -1.454000     -0.9014000    
 H    6.031100      -1.431400      0.8998000    
 H    8.573400      -2.085700     -0.6117000    


%chk=000015804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015804

0 1
S 6.725162 -0.705819 1.147338
O 3.989789 -0.148316 -0.782468
O 5.358285 1.709849 -1.173197
O 6.640930 -2.564046 1.025216
O 5.530292 -0.167359 2.088770
O 8.246216 -0.260679 1.452010
C -3.558714 -0.324583 -0.024081
C -4.880705 0.474148 0.026117
C -2.310480 0.566332 -0.213781
C -6.132129 -0.423339 0.154912
C -0.990868 -0.236320 -0.257242
C -7.455817 0.372608 0.208701
C 0.252000 0.648437 -0.502208
C -8.708776 -0.528107 0.292942
C 1.566609 -0.167550 -0.529058
C -10.033178 0.267222 0.351055
C 2.771411 0.728149 -0.803942
C -11.279851 -0.641540 0.416050
C 5.205229 0.490301 -0.937655
C 6.328969 -0.506304 -0.766199
H -3.609544 -1.061808 -0.852800
H -3.451336 -0.914683 0.910114
H -4.969096 1.092963 -0.891608
H -4.848618 1.185262 0.877970
H -2.261239 1.310782 0.608118
H -2.417451 1.147419 -1.153816
H -6.043738 -1.049224 1.067702
H -6.164649 -1.128272 -0.702330
H -0.865705 -0.789284 0.696710
H -1.056312 -1.004065 -1.056280
H -7.530597 1.018838 -0.691226
H -7.437018 1.058097 1.081842
H 0.128430 1.190802 -1.462794
H 0.311760 1.423288 0.289828
H -8.730307 -1.208892 -0.583952
H -8.634909 -1.179537 1.189124
H 1.506154 -0.951475 -1.308293
H 1.711567 -0.681884 0.439617
H -10.100606 0.926456 -0.538655
H -10.016021 0.938666 1.233859
H 2.721113 1.218560 -1.793618
H 2.906089 1.507407 -0.031585
H -11.249636 -1.292404 1.310443
H -12.212665 -0.049617 0.460429
H -11.337581 -1.297804 -0.472965
H 7.282455 -0.148480 -1.175873
H 6.060338 -1.529348 -1.060619
H 6.864845 -2.949446 1.920679


