%chk=000029077.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029077

0 1
 S    4.873300     -4.7899999E-02 -9.5700003E-02
 O    5.481000     -0.3042000       1.202300    
 O    5.475400     -0.6067000      -1.298500    
 O   -5.132400       1.885600     -0.4221000    
 O   -2.652200       2.815300      0.4093000    
 N   -1.110700      -3.032900      0.3261000    
 C    4.797600       1.714300     -0.3253000    
 C   -3.229700      -1.236300     -0.3154000    
 C   -1.967000     -0.7582000      5.9900001E-02
 C   -3.399100      -2.706500     -0.5588000    
 C  -0.8782000      -1.768000      0.1827000    
 C    3.202200     -0.5468000     -1.5300000E-02
 C   0.5402000      -1.344000      0.1139000    
 C   -2.507300      -3.470700      0.4112000    
 C   -4.287600     -0.3388000     -0.4862000    
 C   -1.777300      0.6028000      0.3150000    
 C    2.545700     -0.5895000       1.214800    
 C    2.523700     -0.9037000      -1.180700    
 C    1.211000     -0.9894000       1.279500    
 C    1.188900      -1.303500      -1.115800    
 C    6.200200       2.289400     -0.4567000    
 C    4.036000       2.362900      0.8211000    
 C   -4.093300       1.021500     -0.2482000    
 C   -2.843500       1.489400      0.1579000    
 C   -5.961800       2.137700      0.7103000    
 C   -2.235400       3.628200     -0.6855000    
 H    4.260400       1.887700      -1.264900    
 H   -4.441200      -3.010600     -0.4109000    
 H   -3.122200      -2.928900      -1.596100    
 H   -2.857400      -3.356100       1.444800    
 H   -2.553300      -4.539300      0.1745000    
 H   -5.264000     -0.6996000     -0.8000000    
 H  -0.8131000      0.9910000      0.6293000    
 H    3.052200     -0.3147000       2.135700    
 H    3.013700     -0.8713000      -2.149700    
 H   0.7082000      -1.019600       2.242500    
 H   0.6679000      -1.578100      -2.029100    
 H    6.162900       3.369300     -0.6342000    
 H    6.790900       2.115800      0.4492000    
 H    6.738100       1.833100      -1.294300    
 H    4.079300       3.454800      0.7368000    
 H    4.449200       2.091600       1.798100    
 H    2.976000       2.095500      0.8102000    
 H   -5.378100       2.576000       1.526000    
 H   -6.442800       1.213700       1.046400    
 H   -6.738200       2.848700      0.4148000    
 H   -2.981000       3.608400      -1.486700    
 H   -1.265800       3.291200      -1.065800    
 H   -2.132700       4.656700     -0.3289000    


%chk=000029077-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029077

0 1
S 4.951231 0.125409 -0.576100
O 5.901240 -0.961762 0.204503
O 5.105281 0.416532 -2.184451
O -5.586915 1.526077 -0.748240
O -2.993877 2.851791 -0.355392
N -1.045096 -2.828418 0.898096
C 5.180379 1.887523 0.345867
C -3.349833 -1.384949 -0.145362
C -2.082497 -0.750352 0.045895
C -3.399054 -2.897544 -0.018296
C -0.911807 -1.620093 0.382035
C 3.148889 -0.376976 -0.268074
C 0.494693 -1.147607 0.155802
C -2.427038 -3.340504 1.099010
C -4.488712 -0.600486 -0.406866
C -2.001340 0.663858 -0.026649
C 2.861317 -1.203103 0.832171
C 2.177557 0.048224 -1.187872
C 1.520325 -1.587175 1.036141
C 0.838233 -0.338907 -0.962041
C 6.463337 2.483436 -0.230634
C 5.180274 1.614290 1.846441
C -4.406168 0.808801 -0.471129
C -3.141177 1.444386 -0.301047
C -5.991094 2.513792 0.283345
C -3.265595 3.441440 -1.688893
H 4.276559 2.416725 -0.005071
H -4.424635 -3.248941 0.193166
H -3.081247 -3.367727 -0.972302
H -2.791494 -2.978042 2.085399
H -2.367135 -4.440815 1.156979
H -5.472011 -1.062809 -0.543748
H -1.055259 1.187488 0.138383
H 3.669964 -1.554213 1.482053
H 2.469363 0.629164 -2.069244
H 1.243958 -2.249073 1.861981
H 0.065434 -0.040803 -1.677467
H 6.581900 3.518278 0.142265
H 7.346788 1.899611 0.082745
H 6.430147 2.509067 -1.333452
H 5.383682 2.557624 2.387576
H 5.973077 0.889430 2.104247
H 4.211547 1.220808 2.200921
H -5.180579 3.236527 0.482850
H -6.263391 1.987235 1.217149
H -6.874065 3.021585 -0.132555
H -4.289221 3.200323 -2.028634
H -2.529360 3.068442 -2.425763
H -3.147875 4.527732 -1.558240


