%chk=000018124.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018124

0 1
 S   -4.598100      -1.374200      0.5864000    
 O   -5.537500      0.4136000      -1.166900    
 O   -4.006300       1.990300      0.4050000    
 O   -5.680400      -2.269400     -0.2421000    
 O   -5.278200     -0.7636000       1.709900    
 O   -3.387700      -2.152000      0.7564000    
 C    2.271600      0.8086000     -0.4636000    
 C    2.902300     -0.4023000      0.2519000    
 C   0.7836000      0.8601000     -0.3740000    
 C    4.409900     -0.4156000      0.1814000    
 C   -1.999400      0.9549000     -0.2058000    
 C   4.1999999E-03  0.2383000      -1.349600    
 C   0.1714000       1.529300      0.6858000    
 C   -1.387300      0.2858000      -1.265500    
 C   -1.220200       1.576700      0.7699000    
 C   -4.318100     -0.1356000     -0.6799000    
 C   -3.450300       1.004700     -0.1181000    
 C    5.035200      -1.055700     -0.8771000    
 C    5.142500      0.2129000       1.176300    
 C    6.428500      -1.067800     -0.9425000    
 C    6.535700      0.2007000       1.110800    
 C    7.178700     -0.4396000      5.1300000E-02
 H    2.573700      0.8090000      -1.520000    
 H    2.691200       1.737400     -5.3300001E-02
 H    2.509100      -1.334200     -0.1765000    
 H    2.589200     -0.4178000       1.304700    
 H   0.4699000     -0.2821000      -2.182400    
 H   0.7676000       2.014700       1.454000    
 H   -1.950700     -0.1850000      -2.063400    
 H   -1.678700       2.098100       1.606100    
 H   -3.849400     -0.6533000      -1.516300    
 H    4.459200      -1.545700      -1.657000    
 H    4.650600      0.7160000       2.003900    
 H    6.929200      -1.565900      -1.767700    
 H    7.120100      0.6905000       1.884300    
 H    8.263500     -0.4486000      1.9999999E-04
 H   -5.317100      0.9798000      -1.926300    
 H   -5.316400      -2.775000      -1.006500    


%chk=000018124-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018124

0 1
S -4.292658 -1.892220 -0.614844
O -5.717754 0.605135 -1.083331
O -4.113653 1.651744 0.673062
O -5.327246 -1.574450 0.925153
O -2.845216 -2.459865 -0.158927
O -5.202166 -2.798736 -1.612359
C 2.334964 0.815058 -0.528036
C 2.884047 -0.304960 0.423858
C 0.821785 0.887824 -0.493226
C 4.403253 -0.368223 0.398133
C -2.029155 0.936078 -0.351741
C 0.035033 0.143406 -1.412365
C 0.154205 1.661288 0.499066
C -1.369131 0.161919 -1.348434
C -1.245588 1.686957 0.572515
C -4.403863 0.281119 -1.223679
C -3.491991 0.998764 -0.232728
C 5.080151 -1.206935 -0.524544
C 5.176815 0.442407 1.268832
C 6.492087 -1.234654 -0.578525
C 6.588683 0.418421 1.219121
C 7.251688 -0.419873 0.292868
H 2.692402 0.606727 -1.553412
H 2.777084 1.780221 -0.217252
H 2.447596 -1.273098 0.114492
H 2.521107 -0.101470 1.449061
H 0.533652 -0.460335 -2.179014
H 0.747645 2.245599 1.212047
H -1.935998 -0.438465 -2.066825
H -1.764879 2.276771 1.334831
H -4.112646 0.109037 -2.265065
H 4.497323 -1.848777 -1.197570
H 4.669682 1.088698 1.996819
H 6.998581 -1.893218 -1.293233
H 7.170535 1.046314 1.903448
H 8.346474 -0.442450 0.254706
H -5.829938 0.998072 -0.156481
H -6.031813 -2.285831 0.937378


