%chk=000049957.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049957

0 1
 S    5.058400     -0.2352000      3.4600001E-02
 O    6.089200       1.011400     -0.1759000    
 O    5.095700      -1.075800      -1.148900    
 O    5.260300     -0.7869000       1.362600    
 C   -1.542200      0.5771000     -7.0600003E-02
 C  -0.2421000     -0.2301000     -8.9599997E-02
 C   -2.765700     -0.3440000     -6.6399999E-02
 C    1.018200      0.6386000     -2.0199999E-02
 C   -4.065400      0.4620000     -8.3999997E-03
 C    2.314600     -0.1753000      3.3100002E-02
 C   -5.323800     -0.4101000     -3.3100002E-02
 C    3.562100      0.6987000      2.7500000E-02
 C   -6.620300      0.3896000      9.8999999E-02
 C   -7.839000     -0.5199000      5.6200001E-02
 H   -1.576500       1.238300     -0.9447000    
 H   -1.561500       1.216200      0.8204000    
 H  -0.2078000     -0.8425000     -0.9991000    
 H  -0.2386000     -0.9250000      0.7596000    
 H   -2.760000     -0.9674000     -0.9685000    
 H   -2.718000      -1.020400      0.7955000    
 H    1.041100       1.301600     -0.8938000    
 H   0.9653000       1.283300      0.8657000    
 H   -4.099200       1.160000     -0.8542000    
 H   -4.069500       1.070700      0.9044000    
 H    2.312900     -0.8063000      0.9303000    
 H    2.343500     -0.8586000     -0.8246000    
 H   -5.268300      -1.140900      0.7835000    
 H   -5.342500     -0.9830000     -0.9687000    
 H    3.579000       1.356000      0.9028000    
 H    3.574700       1.318700     -0.8754000    
 H   -6.687900       1.123000     -0.7127000    
 H   -6.617900      0.9476000       1.042400    
 H   -7.886000      -1.068800     -0.8898000    
 H   -7.815400      -1.246400      0.8748000    
 H   -8.755500      7.0500001E-02  0.1522000    
 H    6.085800       1.417800      -1.074400    


%chk=000049957-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049957

0 1
S 5.150630 -0.232777 -0.155125
O 6.237704 1.286905 -0.181213
O 5.279239 -1.022761 -1.561707
O 5.374043 -1.041985 1.228717
C -1.572899 0.581171 -0.015623
C -0.249199 -0.215800 -0.036353
C -2.824948 -0.324697 -0.000656
C 1.001123 0.693743 -0.052372
C -4.151499 0.468101 0.016883
C 2.315652 -0.129942 -0.079627
C -5.403978 -0.437019 0.030736
C 3.526359 0.801055 -0.095442
C -6.731433 0.355223 0.046854
C -7.976968 -0.557227 0.060050
H -1.614602 1.248268 -0.901912
H -1.590008 1.243982 0.874647
H -0.232829 -0.877604 -0.926613
H -0.207447 -0.881942 0.849843
H -2.807609 -0.989246 -0.889645
H -2.785280 -0.991267 0.886122
H 0.960043 1.359622 -0.938362
H 0.989714 1.350641 0.841100
H -4.191677 1.135073 -0.869842
H -4.170092 1.132566 0.906173
H 2.356333 -0.789546 0.808188
H 2.325138 -0.777949 -0.976927
H -5.366398 -1.103782 0.917710
H -5.386918 -1.102269 -0.857976
H 3.654568 1.399898 0.819894
H 3.607026 1.427797 -0.997493
H -6.768232 1.021369 -0.839408
H -6.747902 1.019478 0.935129
H -7.999133 -1.209669 -0.833313
H -7.978807 -1.211846 0.952116
H -8.912323 0.032073 0.071467
H 7.190307 0.984862 -0.210419


