%chk=000048938.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048938

0 1
 S   -1.795100      -1.533900       1.333000    
 O  -3.3300001E-02   1.519000     -0.7327000    
 O  -0.2420000       1.297900       1.549100    
 N    3.577000      0.8061000     -0.5270000    
 C    2.145200      0.5349000     -0.6502000    
 C    3.935800       1.033400      0.8724000    
 C    4.356300     -0.3005000      -1.081100    
 C    1.347200       1.827700     -0.5924000    
 C    5.409000       1.377000       1.012700    
 C    4.104000      -1.587700     -0.3143000    
 C   -2.136500      0.9649000      0.1403000    
 C  -0.7121000       1.274500      0.4222000    
 C   -2.721200     -0.2494000      0.5001000    
 C   -1.147200      -2.481600     -7.1099997E-02
 C  -0.3060000      -3.655000      0.4189000    
 C   -2.895300       1.939200     -0.5082000    
 C   -4.064800     -0.4891000      0.2115000    
 C   -4.238800       1.699400     -0.7969000    
 C   -4.823500      0.4853000     -0.4371000    
 C   0.2413000      -4.462200     -0.7493000    
 H    1.778800     -0.1620000      0.1146000    
 H    1.916900      6.2799998E-02  -1.615900    
 H    3.388500       1.905900       1.247600    
 H    3.667100      0.2097000       1.543400    
 H    5.427200     -7.4100003E-02  -1.115100    
 H    4.077800     -0.4491000      -2.132700    
 H    1.619100       2.475700      -1.433800    
 H    1.521100       2.410800      0.3180000    
 H    6.058300      0.5054000      0.8877000    
 H    5.714200       2.151500      0.3006000    
 H    5.599600       1.768000       2.018700    
 H    4.483700      -1.564300      0.7108000    
 H    3.053700      -1.892100     -0.2994000    
 H    4.644800      -2.400800     -0.8141000    
 H   -1.986900      -2.844500     -0.6736000    
 H  -0.5411000      -1.819300     -0.6987000    
 H  -0.9068000      -4.317500       1.053700    
 H   0.5361000      -3.294700       1.022500    
 H   -2.456100       2.892500     -0.7916000    
 H   -4.540700      -1.428400      0.4826000    
 H   -4.830000       2.458400      -1.300900    
 H   -5.869500      0.2989000     -0.6618000    
 H  -0.5709000      -4.868100      -1.360800    
 H   0.8779000      -3.842700      -1.389300    
 H   0.8420000      -5.300200     -0.3823000    


%chk=000048938-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048938

0 1
S -2.956232 -1.231991 1.841890
O 0.053827 1.566178 -0.232548
O -0.100071 -0.544309 0.742336
N 3.774631 0.952764 -0.568830
C 2.359192 0.991913 -0.997523
C 4.121391 -0.281013 0.182937
C 4.750431 1.377491 -1.601620
C 1.501104 1.601251 0.130964
C 5.397784 -0.137107 1.032022
C 4.926767 0.421981 -2.814057
C -2.061804 0.462809 -0.352275
C -0.643691 0.399339 0.117308
C -3.123668 -0.254375 0.286064
C -2.022132 -2.801745 1.269385
C -1.085448 -3.277415 2.389328
C -2.358414 1.276889 -1.481691
C -4.441866 -0.117534 -0.216963
C -3.670388 1.388127 -1.980147
C -4.720128 0.691260 -1.340089
C -0.363625 -4.588431 2.000527
H 1.957900 -0.014980 -1.255369
H 2.263221 1.621917 -1.900794
H 3.271179 -0.506069 0.853534
H 4.221165 -1.165919 -0.494077
H 5.729430 1.528205 -1.110224
H 4.433654 2.373559 -1.966052
H 1.728616 2.668611 0.269368
H 1.646963 1.052024 1.076543
H 6.300568 -0.004158 0.408635
H 5.312184 0.734176 1.705130
H 5.549583 -1.043795 1.646052
H 5.313836 -0.565480 -2.503503
H 3.968357 0.262654 -3.342309
H 5.644769 0.851824 -3.537354
H -2.786270 -3.556051 1.013206
H -1.446847 -2.519488 0.375592
H -1.659096 -3.434303 3.324441
H -0.348856 -2.477917 2.584381
H -1.538100 1.826344 -1.951096
H -5.247557 -0.660198 0.286788
H -3.872674 2.015922 -2.854346
H -5.747695 0.771267 -1.711441
H -1.084464 -5.405927 1.809635
H 0.243501 -4.449558 1.086575
H 0.313772 -4.917038 2.809768


