%chk=000012827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012827

0 1
 S    2.661300      0.5967000     -0.1333000    
 O    2.031800       1.131100      -1.326100    
 O    3.306500       1.481300      0.8179000    
 N    1.512500     -0.3807000      0.7012000    
 N    3.789700     -0.6028000     -0.6168000    
 C  -0.4261000      -1.912100      0.5297000    
 C   0.9860000      -1.567500      3.5300002E-02
 C   -1.399900     -0.8162000      0.2553000    
 C   -1.600100      0.1912000       1.199100    
 C   -2.109900     -0.7983000     -0.9452000    
 C   -2.510700       1.216300      0.9426000    
 C   -3.020300      0.2269000      -1.201800    
 C   -3.220700       1.234200     -0.2579000    
 H  -0.4013000      -2.123900       1.606600    
 H  -0.7619000      -2.840700      5.1100001E-02
 H   0.9565000      -1.413200      -1.049400    
 H    1.651100      -2.413600      0.2393000    
 H    1.711500     -0.5359000       1.698700    
 H   -1.056600      0.1890000       2.140200    
 H   -1.961300      -1.576100      -1.689700    
 H   -2.667200       2.000300       1.677700    
 H   -3.572700      0.2413000      -2.136700    
 H   -3.929500       2.032400     -0.4577000    
 H    4.720400     -0.2535000     -0.8827000    
 H    3.450700      -1.281800      -1.311600    


%chk=000012827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012827

0 1
S 3.204711 0.401923 0.268125
O 3.035598 1.251593 -1.095437
O 3.734674 1.006911 1.673288
N 1.582699 -0.321257 0.631669
N 4.296502 -1.034561 -0.180287
C -0.384317 -1.696038 0.001008
C 0.990729 -1.147110 -0.456606
C -1.549671 -0.709799 -0.013788
C -1.397656 0.645228 0.380160
C -2.834511 -1.161443 -0.413423
C -2.505343 1.522813 0.372308
C -3.944089 -0.286446 -0.415225
C -3.782697 1.061807 -0.021381
H -0.272239 -2.137140 1.015350
H -0.625736 -2.545895 -0.665714
H 0.868382 -0.499113 -1.340947
H 1.658049 -1.994265 -0.721069
H 1.665195 -0.804092 1.543939
H -0.408382 1.002426 0.684841
H -2.967902 -2.204540 -0.728479
H -2.369438 2.567364 0.674908
H -4.928088 -0.653747 -0.728412
H -4.640063 1.744228 -0.025284
H 5.012030 -1.137827 0.558655
H 4.701361 -0.846620 -1.112403


