%chk=000027447.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027447

0 1
 S  -0.4368000       1.273200       1.016400    
 O   -2.337100      -2.551200     -0.8209000    
 O    2.136500      -2.083400       1.567900    
 O   -4.068700      0.1054000      -2.060200    
 O   -5.424600     -0.5153000     -0.3262000    
 N   -2.292200     -0.5056000      0.3513000    
 N   0.6150000      -1.406200     -4.5200001E-02
 N    4.050900      -2.404100     -0.3977000    
 C   -1.260300     -0.3003000       1.351200    
 C  -0.5855000      -1.564500      0.7752000    
 C   -1.889600      -1.728700     -5.6400001E-02
 C   -3.267400      0.3985000      7.6499999E-02
 C   -1.965700       2.246300       1.230900    
 C   -3.183900       1.680800      0.5042000    
 C    1.898100      -1.684200      0.4293000    
 C   -4.261000       2.721000      0.3101000    
 C   -4.385700     -6.0400002E-02 -0.7609000    
 C    2.984900      -1.420100     -0.6072000    
 C    3.488200      5.2000000E-03 -0.5106000    
 C    2.871300      0.9906000      -1.260700    
 C    4.553600      0.2892000      0.3252000    
 C    3.335000       2.303100      -1.172000    
 C    5.017100       1.601700      0.4141000    
 C    4.407800       2.608800     -0.3344000    
 H   -1.628500     -0.4221000       2.376800    
 H  -0.4751000      -2.369800       1.512100    
 H   0.5256000      -1.067700      -1.000300    
 H   -1.743900       3.250600      0.8545000    
 H   -2.187000       2.331400       2.300400    
 H   -5.164700       2.321300     -0.1580000    
 H   -3.891900       3.533700     -0.3241000    
 H   -4.555600       3.141000       1.277700    
 H    2.580800      -1.596700      -1.612000    
 H    4.757700      -2.299600      -1.125500    
 H    3.672800      -3.344300     -0.5118000    
 H   -4.789900     -0.1889000      -2.656600    
 H    2.035600      0.7633000      -1.915900    
 H    5.036900     -0.4683000      0.9344000    
 H    2.860200       3.087300      -1.754200    
 H    5.849600       1.840900       1.069400    
 H    4.767800       3.631000     -0.2642000    


%chk=000027447-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027447

0 1
S -0.409762 1.208489 1.404932
O -1.650624 -1.299988 -2.101511
O 1.768716 -3.093152 0.930706
O -5.108012 1.221986 -1.460724
O -4.708242 -1.041329 -1.136830
N -2.252839 -0.384649 0.086157
N 0.953004 -1.192998 -0.134048
N 4.353235 -2.308677 0.591301
C -1.223222 -0.482036 1.136726
C -0.422573 -1.467137 0.199072
C -1.502389 -1.111995 -0.886038
C -3.294152 0.572836 0.013235
C -2.085786 2.050170 1.710929
C -3.249566 1.714086 0.784952
C 1.970577 -2.057849 0.228154
C -4.359132 2.743183 0.870410
C -4.411265 0.147517 -0.885431
C 3.383948 -1.730531 -0.340530
C 3.610998 -0.232273 -0.574267
C 3.359995 0.343543 -1.845606
C 4.052610 0.597874 0.486176
C 3.531918 1.732626 -2.052178
C 4.224982 1.983514 0.280746
C 3.961706 2.556784 -0.987235
H -1.582528 -0.871708 2.100552
H -0.483113 -2.508411 0.559919
H 1.192070 -0.334415 -0.638963
H -1.868617 3.131240 1.639309
H -2.375287 1.845492 2.759383
H -5.327055 2.359130 0.521690
H -4.112825 3.621876 0.242646
H -4.464367 3.104342 1.911437
H 3.382368 -2.224555 -1.347197
H 5.299197 -2.410088 0.219886
H 3.991285 -3.135790 1.077883
H -5.814737 0.847264 -2.054344
H 3.044898 -0.296465 -2.680616
H 4.270556 0.128125 1.451086
H 3.338934 2.165596 -3.040082
H 4.566060 2.618857 1.106177
H 4.099336 3.632414 -1.145265


