%chk=000137307.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137307

0 1
 S   -4.882100      -1.518300      0.1162000    
 O    3.613500     -0.5187000       1.048900    
 O    3.895000      0.4741000      -1.050800    
 O    6.968900       2.821300      0.5405000    
 O    5.761300       2.285200      -1.307500    
 N   -2.804200      2.1199999E-02 -5.2999998E-03
 N   -2.138200      -2.102400      7.1599998E-02
 C   -3.844700      0.9386000     -1.7700000E-02
 C   -3.161400      -1.291600      6.1200000E-02
 C   -1.055900      -1.242400      5.4000001E-03
 C   -5.077300      0.2684000      4.3800000E-02
 C   -1.448000      8.5900001E-02 -4.3900002E-02
 C   0.3055000      -1.681700     -1.0100000E-02
 C   -3.736500       2.313700     -7.9700001E-02
 C   -6.256500      0.9919000      4.3499999E-02
 C    1.310300     -0.8764000      0.5331000    
 C   -4.928100       3.040900     -7.9300001E-02
 C   0.6381000      -2.919100     -0.5683000    
 C   -6.174400       2.388000     -1.8700000E-02
 C    2.637600      -1.305300      0.5183000    
 C    1.965200      -3.347900     -0.5830000    
 C    2.964900      -2.541200     -3.9600000E-02
 C    4.194700      0.3735000      0.1320000    
 C    5.260100       1.200200      0.8042000    
 C    5.992300       2.142100     -0.1147000    
 H  -0.9043000       1.019100     -0.1063000    
 H   -2.780100       2.821200     -0.1265000    
 H   -7.223500      0.5026000      9.0000004E-02
 H    1.082200      8.5699998E-02  0.9866000    
 H   -4.896300       4.126400     -0.1266000    
 H  -0.1234000      -3.563700      -1.001200    
 H   -7.086600       2.979300     -2.0199999E-02
 H    2.220600      -4.309700      -1.018200    
 H    3.996700      -2.881700     -5.4000001E-02
 H    4.781300       1.794800       1.588700    
 H    5.995000      0.5131000       1.236000    
 H    7.452600       3.432000     -5.5599999E-02


%chk=000137307-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137307

0 1
S -4.923295 -1.543537 0.315485
O 3.998610 -0.362052 -0.157785
O 3.033532 1.720007 -0.706931
O 7.474825 1.726330 0.757306
O 5.490635 1.555510 1.959133
N -2.851433 0.110733 -0.050334
N -2.056348 -1.994804 0.328551
C -3.965978 0.962179 -0.181259
C -3.144611 -1.241496 0.213155
C -0.973404 -1.090285 0.129662
C -5.188376 0.245525 -0.014894
C -1.455165 0.209900 -0.104745
C 0.418828 -1.561390 0.186257
C -3.973006 2.347380 -0.440256
C -6.426211 0.903032 -0.106175
C 1.497444 -0.660484 -0.032770
C -5.218159 3.006697 -0.531278
C 0.686275 -2.928049 0.462875
C -6.432576 2.294448 -0.366567
C 2.815309 -1.151907 0.034621
C 2.017170 -3.391620 0.524354
C 3.095706 -2.508155 0.311446
C 4.024234 0.996625 -0.479409
C 5.474459 1.455691 -0.525121
C 6.087238 1.567504 0.865947
H -0.942759 1.147896 -0.293000
H -3.035131 2.897122 -0.566797
H -7.365670 0.356612 0.020627
H 1.318771 0.392166 -0.252238
H -5.242754 4.082642 -0.731734
H -0.160012 -3.601046 0.626195
H -7.388457 2.822683 -0.440580
H 2.218943 -4.445824 0.740904
H 4.136194 -2.841450 0.358904
H 6.085367 0.759353 -1.123651
H 5.516737 2.449058 -1.003520
H 7.867370 1.832107 1.666421


