%chk=000004730.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004730

-1 1
 S    3.031300       1.698200      0.8746000    
 O    2.401800     -0.7142000      -2.728100    
 O    3.873400      -1.245200       2.130500    
 O    5.170900      -2.528200      0.7502000    
 O   -1.158300       1.763700      0.4130000    
 O   -3.630300      0.6951000      0.2922000    
 N    2.726500     -0.5723000     -0.3963000    
 N  -0.2556000      0.1149000     -0.9535000    
 C    1.888700      0.3667000      0.3479000    
 C    4.543300      0.8693000      0.1721000    
 C    4.147900     -0.5999000     -0.1173000    
 C    1.122400      0.6144000     -0.9624000    
 C    2.131200     -0.3591000      -1.603500    
 C    4.911100       1.607500      -1.126600    
 C    5.697400       1.022100       1.169600    
 C    4.423800      -1.550900       1.036400    
 C   -1.288100      0.7426000     -0.2569000    
 C   -2.610000      2.3000000E-02 -0.4152000    
 C   -4.883700      0.1951000      0.2616000    
 C   -5.164000     -0.9715000     -0.4610000    
 C   -5.919900      0.8371000      0.9511000    
 C   -6.459400      -1.487800     -0.4935000    
 C   -7.215300      0.3209000      0.9188000    
 C   -7.485100     -0.8415000      0.1965000    
 H    1.334100     -0.1141000       1.159500    
 H    4.668300     -0.9602000      -1.014100    
 H    1.185600       1.624900      -1.381200    
 H    5.793900       1.150600      -1.589400    
 H    4.107000       1.582100      -1.869100    
 H    5.153700       2.660400     -0.9389000    
 H    6.006700       2.070800       1.259700    
 H    5.450400      0.6827000       2.180100    
 H    6.575100      0.4587000      0.8321000    
 H  -0.4866000     -0.7261000      -1.477600    
 H   -2.835400     -1.0000000E-03  -1.488800    
 H   -2.471300     -0.9921000     -2.2299999E-02
 H   -4.411300      -1.520500      -1.017700    
 H   -5.718000       1.743400       1.516200    
 H   -6.670600      -2.392800      -1.055600    
 H   -8.014000      0.8241000       1.455900    
 H   -8.493800      -1.243300      0.1712000    


%chk=000004730-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004730

-1 1
S 3.461370 0.209027 1.550237
O 1.256222 2.579488 -1.694145
O 2.680467 -2.174896 -1.185239
O 4.495268 -1.707052 -2.603232
O -1.171778 2.409386 2.379390
O -3.024706 0.066133 0.300967
N 2.267233 0.538437 -0.818280
N -0.575387 0.971196 0.615892
C 1.854959 0.090125 0.523065
C 4.563270 0.389095 -0.075484
C 3.577769 0.108527 -1.293198
C 0.839890 1.291867 0.564152
C 1.438173 1.664244 -0.857906
C 5.075723 1.845918 -0.123926
C 5.720166 -0.619706 0.010745
C 3.571452 -1.417003 -1.745211
C -1.458349 1.549254 1.488799
C -2.919223 1.096558 1.343211
C -4.290194 -0.471107 0.016526
C -5.484120 -0.077723 0.670886
C -4.316653 -1.464554 -0.993883
C -6.705409 -0.688955 0.301389
C -5.541433 -2.062275 -1.348561
C -6.744699 -1.679239 -0.704288
H 1.478874 -0.940523 0.560061
H 3.895493 0.725630 -2.151450
H 1.064771 2.044016 1.335845
H 5.771291 1.967248 -0.978618
H 4.241609 2.559393 -0.248075
H 5.616111 2.108371 0.803884
H 6.406308 -0.353504 0.837235
H 5.335708 -1.639232 0.171154
H 6.275007 -0.626281 -0.945379
H -0.958145 0.296795 -0.054537
H -3.259263 0.700897 2.320214
H -3.532354 1.981237 1.080291
H -5.474123 0.687371 1.453080
H -3.377966 -1.748997 -1.479363
H -7.628789 -0.384238 0.807670
H -5.555975 -2.830137 -2.130143
H -7.694766 -2.147190 -0.983574


