%chk=000078029.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078029

1 1
 S   -2.835000      0.2667000      1.9099999E-02
 O   -3.170200     -8.2999997E-02   1.575000    
 O   -3.444600       1.546600     -0.2823000    
 O   -3.100200     -0.9071000     -0.7876000    
 N  -0.1895000     -0.5387000      0.1505000    
 C    1.182200     -0.2821000      0.1107000    
 C   -1.083800      0.5010000     -1.4800000E-02
 C  -0.7102000      -1.888500      0.3673000    
 C    1.648600       1.036900     -9.8700002E-02
 C  -0.6458000       1.802700     -0.2208000    
 C   0.7179000       2.070200     -0.2629000    
 C    2.091600      -1.335000      0.2783000    
 C    3.032800       1.266300     -0.1357000    
 C  -0.8884000      -2.581200     -0.9691000    
 C    3.462600      -1.085600      0.2387000    
 C    3.931900      0.2106000      3.2099999E-02
 H  -6.1400000E-02  -2.452800       1.040300    
 H   -1.643200      -1.850100      0.9283000    
 H   -1.326500       2.637800     -0.3502000    
 H    1.050200       3.093400     -0.4247000    
 H    1.799800      -2.368500      0.4179000    
 H    3.423600       2.268900     -0.2957000    
 H   -1.215900      -1.919200      -1.774500    
 H   -1.591700      -3.414800     -0.8783000    
 H   6.7299999E-02  -3.003000      -1.299900    
 H    4.167400      -1.902900      0.3630000    
 H    5.000900      0.4008000      9.9999997E-05
 H   -2.949300      0.6240000       2.226000    


%chk=000078029-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078029

1 1
S -2.944506 0.432543 -0.001669
O -2.962061 0.019366 1.793945
O -3.515969 1.911086 -0.274167
O -3.430911 -0.830717 -0.873327
N -0.191609 -0.474241 0.158110
C 1.212032 -0.285351 0.092253
C -1.008326 0.600380 -0.001476
C -0.739401 -1.875667 0.381886
C 1.727036 1.056985 -0.113327
C -0.563884 1.913322 -0.207038
C 0.816830 2.141888 -0.259500
C 2.121965 -1.372309 0.231744
C 3.144426 1.261901 -0.166394
C -0.779729 -2.700527 -0.916137
C 3.499767 -1.130140 0.174747
C 4.019580 0.186954 -0.023478
H -0.106899 -2.336329 1.156980
H -1.743964 -1.776197 0.817056
H -1.300448 2.713547 -0.321069
H 1.197946 3.156502 -0.413268
H 1.773948 -2.395811 0.374758
H 3.524294 2.277159 -0.319794
H -1.491256 -2.266198 -1.636547
H -1.137583 -3.715146 -0.668697
H 0.209159 -2.796000 -1.394845
H 4.192391 -1.970607 0.282586
H 5.101231 0.342823 -0.062279
H -3.902960 0.024187 2.141046


