%chk=000023674.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023674

0 1
 S    2.972400     -0.7429000     -0.2061000    
 O   -2.878200     -0.6578000      0.5191000    
 O    3.598500     -0.1426000       1.176600    
 O    3.328300      -2.149900     -0.2648000    
 O    3.308800      0.1611000      -1.291000    
 N   -1.566200       1.743100      0.2123000    
 C   0.5333000      0.5757000      2.1000000E-02
 C    1.231800     -0.6436000      6.6999998E-03
 C  -0.8666000      0.5928000      0.1939000    
 C   -1.522300     -0.6255000      0.3478000    
 C   0.5505000      -1.847200      0.1629000    
 C  -0.8282000      -1.837900      0.3336000    
 C    1.194000       1.801900     -0.1341000    
 C   0.4757000       2.988800     -0.1155000    
 C   -3.632900      -1.372100     -0.4547000    
 C  -0.8906000       2.905100      5.9200000E-02
 C   -5.008100     -0.7492000     -0.5669000    
 H    1.054800      -2.808300      0.1625000    
 H   -1.351800      -2.780900      0.4656000    
 H    2.267800       1.903500     -0.2249000    
 H   0.9708000       3.946900     -0.2229000    
 H   -3.142600      -1.339700      -1.435800    
 H   -3.724500      -2.417200     -0.1397000    
 H   -1.503800       3.800000      8.4899999E-02
 H   -5.620200      -1.281900      -1.300100    
 H   -5.520100     -0.7675000      0.4009000    
 H   -4.931700      0.3013000     -0.8665000    
 H    3.367600     -0.6391000       1.996700    


%chk=000023674-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023674

0 1
S 3.055147 -0.873697 -0.000534
O -2.973105 -0.295823 -0.252047
O 3.240871 -0.434606 1.803030
O 3.389974 -2.443862 -0.208239
O 3.889920 0.233604 -0.842566
N -1.505753 1.964978 -0.084535
C 0.621421 0.684756 -0.046386
C 1.202336 -0.620572 -0.077378
C -0.828387 0.763542 -0.109595
C -1.606173 -0.463972 -0.198079
C 0.455649 -1.789544 -0.155279
C -0.959346 -1.713385 -0.223782
C 1.346923 1.918618 0.040532
C 0.642189 3.122547 0.065734
C -3.830793 -1.505669 -0.336853
C -0.784845 3.099310 0.001476
C -5.272457 -1.011009 -0.373456
H 0.963869 -2.759340 -0.170735
H -1.530483 -2.641810 -0.290573
H 2.439730 1.905206 0.070591
H 1.167749 4.079806 0.131187
H -3.568744 -2.070532 -1.254175
H -3.640011 -2.145485 0.548173
H -1.357558 4.033809 0.020132
H -5.963604 -1.871007 -0.436117
H -5.509282 -0.434727 0.536380
H -5.439089 -0.361122 -1.248583
H 4.220349 -0.453113 2.012376


