%chk=000121883.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121883

0 1
 S   -4.586400      0.7162000      0.2475000    
 O  -5.5599999E-02   1.520100     -0.1156000    
 O   -4.923000       1.320800       1.724500    
 O   -5.313100     -0.5281000      7.5400002E-02
 O   -4.674600       1.788600     -0.7265000    
 N    1.195200      -1.697600      0.1834000    
 N    1.425300     -0.3143000      0.1851000    
 C   -2.219000     -0.4256000     -0.6171000    
 C  -0.8076000     -0.7367000     -0.2955000    
 C  -0.1414000      -1.894900     -0.1604000    
 C   -2.882900      0.3485000      0.5340000    
 C   0.2056000      0.3299000     -3.9099999E-02
 C   -2.312000      0.3586000      -1.936100    
 C  -0.6982000      -3.272600     -0.2967000    
 C    2.716700      0.2625000      9.3400002E-02
 C    1.830200      -2.509400       1.217200    
 C    2.903000       1.620200      0.3718000    
 C    3.814100     -0.5217000     -0.2756000    
 C    4.173800       2.188100      0.2820000    
 C    5.085100      4.6200000E-02 -0.3653000    
 C    5.264800       1.401100     -8.6499996E-02
 H   -2.775400      -1.358200     -0.7642000    
 H   -2.839000     -0.2498000       1.452000    
 H   -2.392300       1.307400      0.7285000    
 H   -2.039200       1.412100      -1.815100    
 H   -1.650700     -7.3700003E-02  -2.696500    
 H   -3.324700      0.3139000      -2.349300    
 H  -8.1900001E-02  -3.862900     -0.9830000    
 H   -1.717100      -3.277100     -0.6924000    
 H  -0.7162000      -3.779200      0.6735000    
 H    1.943100      -3.541200      0.8678000    
 H    1.215500      -2.518700       2.124900    
 H    2.820900      -2.152600       1.508500    
 H    2.085900       2.259800      0.6896000    
 H    3.711400      -1.570800     -0.5379000    
 H   -4.960000      0.6599000       2.455300    
 H    4.315500       3.241600      0.5050000    
 H    5.933600     -0.5643000     -0.6604000    
 H    6.254300       1.843300     -0.1569000    


%chk=000121883-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121883

0 1
S -4.710651 0.642937 0.198645
O 0.080075 1.640395 -0.071823
O -5.030929 0.946714 2.016674
O -5.299295 -0.808839 -0.216330
O -5.186209 1.943362 -0.639911
N 1.244924 -1.717837 0.178599
N 1.452886 -0.303543 0.265229
C -2.197535 -0.404247 -0.619496
C -0.766789 -0.689770 -0.215477
C -0.132018 -1.913900 -0.055684
C -2.793995 0.535364 0.444111
C 0.215651 0.378297 -0.008343
C -2.281785 0.204223 -2.044809
C -0.699184 -3.304898 -0.090076
C 2.764108 0.252786 0.149930
C 1.987235 -2.558278 1.147373
C 3.018432 1.524595 0.722951
C 3.789135 -0.435728 -0.549775
C 4.302456 2.095050 0.597269
C 5.073864 0.139521 -0.648608
C 5.337858 1.405310 -0.076042
H -2.773934 -1.349675 -0.599208
H -2.717720 0.153419 1.473708
H -2.451561 1.578312 0.363202
H -1.718947 1.152366 -2.091353
H -1.849626 -0.495651 -2.780604
H -3.328944 0.402493 -2.337154
H -0.128365 -3.957480 -0.775147
H -1.743392 -3.278451 -0.438624
H -0.696512 -3.779728 0.909455
H 1.844044 -3.614652 0.872138
H 1.635686 -2.394322 2.184989
H 3.061351 -2.326692 1.093001
H 2.212668 2.055653 1.234503
H 3.566571 -1.389639 -1.039723
H -5.987160 1.222840 2.113415
H 4.494403 3.081364 1.033317
H 5.862797 -0.394351 -1.189864
H 6.334107 1.852077 -0.161157


