%chk=000037539.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037539

0 1
 S   0.3197000       1.035700      0.5634000    
 O   -4.655500       2.012200     -0.3224000    
 O   -6.088600     -0.3589000     -9.2500001E-02
 O    7.476400       1.309200     -0.3751000    
 O    5.702900      0.7992000      -1.697600    
 N   0.2454000      -1.477700     -1.1100000E-02
 C    1.824500      0.2011000      0.4560000    
 C    1.582400      -1.139000      0.1388000    
 C    4.197100     -0.1888000      0.4972000    
 C  -0.5017000     -0.4171000      0.1890000    
 C   -1.943400     -0.3981000      0.1161000    
 C    3.125500      0.6964000      0.6393000    
 C    2.683300      -2.012100      7.9999998E-04
 C    3.981300      -1.525900      0.1822000    
 C    5.591300      0.3106000      0.6855000    
 C   -2.615800      0.8092000     -6.9899999E-02
 C   -2.661700      -1.587500      0.2315000    
 C   -4.008800      0.8269000     -0.1406000    
 C   -4.728100     -0.3627000     -2.5300000E-02
 C   -4.054500      -1.569800      0.1609000    
 C    6.227700      0.8185000     -0.5928000    
 C   -5.025000       2.735200      0.8500000    
 C   -6.674400     -0.5164000      -1.383400    
 H    3.289900       1.742100      0.8831000    
 H    2.525800      -3.058300     -0.2457000    
 H    4.818700      -2.210300      7.0400000E-02
 H    6.224300     -0.4900000       1.087200    
 H    5.597400       1.126500       1.418600    
 H   -2.108800       1.761700     -0.1937000    
 H   -2.159600      -2.540300      0.3803000    
 H   -4.608700      -2.500000      0.2531000    
 H   -5.709400       2.144800       1.467300    
 H   -5.535300       3.651500      0.5407000    
 H   -4.136500       3.007400       1.428500    
 H   -6.366900      0.2969000      -2.048100    
 H   -7.761700     -0.4850000      -1.272200    
 H   -6.394400      -1.482100      -1.816100    
 H    7.889000       1.637500      -1.202300    


%chk=000037539-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037539

0 1
S 0.467469 1.399327 0.260418
O -4.822365 2.002629 -0.043987
O -6.107789 -0.621398 -0.342272
O 6.853491 1.141709 -1.409398
O 7.138680 -1.053768 -0.705514
N 0.372783 -1.300410 0.250297
C 2.003253 0.454156 0.375132
C 1.727921 -0.953636 0.351926
C 4.383936 0.017884 0.559643
C -0.427275 -0.250625 0.192095
C -1.886819 -0.300436 0.076604
C 3.318344 0.945102 0.476045
C 2.803603 -1.871354 0.430274
C 4.117185 -1.383018 0.532685
C 5.824183 0.520261 0.684909
C -2.683863 0.874566 0.071287
C -2.528131 -1.569180 -0.021199
C -4.083200 0.795735 -0.047131
C -4.713748 -0.475325 -0.204365
C -3.923815 -1.647767 -0.163135
C 6.666737 0.086566 -0.506510
C -5.741234 2.150143 1.110900
C -6.709657 0.067974 -1.511023
H 3.523616 2.020177 0.488153
H 2.591272 -2.943994 0.409343
H 4.957414 -2.084104 0.581816
H 6.294650 0.089958 1.587668
H 5.847026 1.617911 0.762855
H -2.238482 1.870387 0.174268
H -1.910675 -2.471504 -0.001578
H -4.431579 -2.612099 -0.263073
H -6.468339 1.318684 1.148112
H -6.257845 3.108784 0.952821
H -5.162332 2.183820 2.052907
H -6.477612 1.147278 -1.499828
H -7.793012 -0.100711 -1.419613
H -6.333682 -0.387335 -2.446105
H 7.373693 0.816214 -2.194326


