%chk=000039693.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039693

0 1
 S   -3.461900       2.766100      1.5500000E-02
 O    3.394700      0.9796000      0.3180000    
 O   0.6636000      0.5351000       1.052000    
 O   5.6299999E-02  0.6829000      -1.186600    
 N  -0.8661000       2.116000      0.3880000    
 C    4.704700      0.7569000     -0.2795000    
 C    5.021200     -0.7564000     -0.2361000    
 C    3.671800      -1.294500      4.7699999E-02
 C    2.812600     -0.2592000      0.3743000    
 C    4.654700       1.282300      -1.719800    
 C    5.724000       1.558200      0.5319000    
 C    3.238400      -2.608100      6.5200001E-02
 C    1.496600     -0.4858000      0.7295000    
 C    1.909100      -2.861100      0.4128000    
 C    1.043500      -1.806100      0.7439000    
 C  -4.6900000E-02   1.088000     -3.2499999E-02
 C   -4.109500      0.2024000      0.8953000    
 C   -3.734600       1.010400     -0.1788000    
 C   -1.720200       2.877500     -0.5008000    
 C   -4.142100      -1.723600     -0.5630000    
 C   -4.313100      -1.164100      0.7033000    
 C   -3.563800      0.4499000      -1.445200    
 C   -3.767500     -0.9168000      -1.637200    
 C   -4.304700      0.7549000       2.271100    
 C   -4.360700      -3.184500     -0.7689000    
 H    5.700700      -1.013600      0.5837000    
 H    5.434200      -1.128900      -1.178400    
 H    5.622800       1.175100      -2.219800    
 H    3.900000      0.7487000      -2.308600    
 H    4.368400       2.340000      -1.737600    
 H    6.737600       1.436500      0.1367000    
 H    5.473500       2.625200      0.5285000    
 H    5.718800       1.244500       1.582000    
 H    3.909500      -3.424400     -0.1789000    
 H    1.541600      -3.883500      0.4327000    
 H   1.4100000E-02  -2.027600       1.014500    
 H  -0.8675000       2.357000       1.374100    
 H   -1.408400       3.923200     -0.4234000    
 H   -1.591400       2.561300      -1.539500    
 H   -4.606900      -1.799300       1.535800    
 H   -3.284000       1.056600      -2.302700    
 H   -3.635100      -1.339900      -2.629500    
 H   -4.597700     -2.2800000E-02   2.985300    
 H   -3.375400       1.197300       2.645200    
 H   -5.099300       1.508300       2.276500    
 H   -4.064400      -3.755100      0.1178000    
 H   -5.417100      -3.380500     -0.9771000    
 H   -3.763500      -3.561400      -1.606100    


%chk=000039693-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039693

0 1
S -3.074684 2.448199 0.978770
O 3.541214 0.920069 0.155672
O 1.109303 0.011112 1.559576
O 0.483757 0.525001 -0.676948
N -0.345814 1.704897 1.184930
C 4.751949 0.914934 -0.795444
C 5.419211 -0.485477 -0.565663
C 4.315525 -1.303108 0.090617
C 3.286408 -0.413590 0.475812
C 4.173999 1.056228 -2.214012
C 5.623697 2.102844 -0.381325
C 4.213194 -2.673743 0.382643
C 2.131998 -0.882405 1.129637
C 3.059680 -3.147307 1.061521
C 2.024129 -2.255911 1.428641
C 0.415546 0.744184 0.553188
C -4.955242 0.415241 0.655818
C -3.647049 0.836100 0.274683
C -1.247995 2.580710 0.466232
C -4.685747 -1.607205 -0.764571
C -5.443068 -0.802472 0.123298
C -2.870215 0.050075 -0.604181
C -3.388824 -1.160680 -1.113973
C -5.810379 1.238934 1.601093
C -5.257858 -2.893061 -1.336627
H 6.297852 -0.398465 0.102569
H 5.763955 -0.919252 -1.520990
H 4.989426 1.091998 -2.960302
H 3.512270 0.205185 -2.452068
H 3.579181 1.981727 -2.294289
H 6.519219 2.161705 -1.026693
H 5.062542 3.048124 -0.479675
H 5.951982 2.000350 0.667332
H 5.009221 -3.368880 0.094253
H 2.961179 -4.211680 1.297373
H 1.124037 -2.611732 1.939654
H -0.299970 1.748310 2.204290
H -1.034599 3.640731 0.684669
H -1.137178 2.400583 -0.613089
H -6.449685 -1.129351 0.415770
H -1.859346 0.346176 -0.900772
H -2.766966 -1.760413 -1.789268
H -6.769449 0.734421 1.807377
H -5.295257 1.409693 2.565917
H -6.034596 2.237901 1.179332
H -5.941790 -3.386108 -0.622837
H -5.835048 -2.697365 -2.261674
H -4.459115 -3.610525 -1.594966


