%chk=000003334.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003334

0 1
 S   -3.419000      -1.686200     -0.8262000    
 O    5.821100       1.535000     -0.2823000    
 O    5.213000     -0.3403000      0.8724000    
 N    1.374400      0.5256000     -0.9304000    
 N    2.337000     -0.9510000      0.4234000    
 N    3.678200      0.8495000     -0.4521000    
 C   0.3859000     -0.3646000     -0.5976000    
 C    1.011600      -1.276300      0.2480000    
 C  -0.9608000     -0.4480000     -0.9528000    
 C   -1.689000      -1.513900     -0.4142000    
 C    2.520300      0.1331000     -0.2963000    
 C   0.2648000      -2.340800      0.7802000    
 C   -1.089200      -2.444500      0.4372000    
 C   -4.075800     -0.1446000     -0.2080000    
 C   -3.955200      0.1682000       1.144200    
 C   -4.706300      0.7403000      -1.079800    
 C   -4.468000       1.372200       1.627000    
 C   -5.219100       1.944200     -0.5968000    
 C    4.922300      0.5830000      0.1221000    
 C   -5.099900       2.260100      0.7566000    
 C    7.153700       1.399200      0.2254000    
 H   -1.403700      0.2831000      -1.621000    
 H    1.274100       1.328900      -1.536300    
 H   0.7218000      -3.068900       1.442600    
 H   -1.665100      -3.269700      0.8512000    
 H    3.622900       1.667000      -1.054300    
 H   -3.472500     -0.5111000       1.842200    
 H   -4.807600      0.5110000      -2.137600    
 H   -4.376600       1.617700       2.681100    
 H   -5.711000       2.635900      -1.274400    
 H   -5.499400       3.197400       1.132700    
 H    7.151200       1.467400       1.317300    
 H    7.755000       2.219100     -0.1762000    
 H    7.588900      0.4507000     -0.1034000    


%chk=000003334-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003334

0 1
S -2.968995 0.323278 -1.904142
O 6.413694 0.397494 0.399763
O 4.682900 1.634228 -0.611760
N 2.232464 0.383958 -0.571384
N 2.234776 -1.677048 0.444398
N 4.327625 -0.485193 0.349066
C 0.910402 -0.083999 -0.653341
C 0.931225 -1.373144 -0.012409
C -0.262584 0.473150 -1.197231
C -1.435473 -0.308140 -1.099625
C 2.959266 -0.604522 0.086495
C -0.258480 -2.131390 0.078141
C -1.435160 -1.592090 -0.479088
C -4.098862 0.614206 -0.470050
C -3.639757 0.759298 0.859147
C -5.479986 0.729285 -0.764866
C -4.568921 1.014789 1.893679
C -6.398477 0.996181 0.274733
C 5.100922 0.606615 -0.008630
C -5.948716 1.137319 1.608649
C 7.356536 1.493421 0.075637
H -0.286813 1.459027 -1.669949
H 2.651913 1.257297 -0.904027
H -0.254996 -3.114356 0.557489
H -2.369885 -2.159858 -0.441290
H 4.764763 -1.269906 0.836803
H -2.572375 0.672310 1.086364
H -5.834935 0.605772 -1.794279
H -4.208333 1.123008 2.922944
H -7.465260 1.084712 0.040201
H -6.663585 1.337627 2.414053
H 7.408528 1.640983 -1.015755
H 8.321572 1.154092 0.475708
H 7.033008 2.430294 0.558458


