%chk=000006477.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006477

0 1
 S  -1.6000000E-03   2.290200     -1.7000000E-03
 O   0.1565000       3.020300      -1.251600    
 O  -0.1190000       3.021000       1.253500    
 O   -5.543200      -1.497400       1.520000    
 O    5.536600      -1.503900      -1.519200    
 N   -4.767500      -1.174300     -0.6827000    
 N    4.761200      -1.177700      0.6832000    
 C   -1.404800       1.270200     -0.2020000    
 C    1.421800       1.253800      0.2028000    
 C   -2.136700      0.8636000      0.9136000    
 C    2.132200      0.8606000     -0.9152000    
 C   -1.793700      0.8623000      -1.477900    
 C    1.789200      0.8623000       1.476200    
 C   -3.646600     -0.3590000     -0.5227000    
 C    3.640900     -0.3616000      0.5223000    
 C   -3.257600      4.8900001E-02  0.7532000    
 C    3.252300      4.5200001E-02 -0.7540000    
 C   -2.914600      4.7600001E-02  -1.638200    
 C    2.909300      4.6900000E-02   1.637400    
 C   -5.618700      -1.679200      0.3092000    
 C    5.611900      -1.684500     -0.3082000    
 C   -6.721100      -2.524900     -0.2774000    
 C    6.713500      -2.530500      0.2793000    
 H   -1.846900       1.165200       1.916300    
 H    1.839300       1.162200      -1.916100    
 H   -1.234900       1.159100      -2.361000    
 H    1.228200       1.161000       2.356200    
 H   -3.772000     -0.2263000       1.663300    
 H    3.766300     -0.2316000      -1.663900    
 H   -3.205100     -0.2644000      -2.638200    
 H    3.199400     -0.2645000       2.637700    
 H   -4.985600      -1.428700      -1.643900    
 H    4.979100      -1.431200       1.644700    
 H   -7.339000      -1.916100     -0.9434000    
 H   -7.348700      -2.924000      0.5242000    
 H   -6.290500      -3.358900     -0.8387000    
 H    7.333200      -1.920800      0.9429000    
 H    7.339500      -2.932700     -0.5219000    
 H    6.282300      -3.362400      0.8433000    


%chk=000006477-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006477

0 1
S 0.000953 2.394252 0.001065
O 0.166124 3.169140 -1.436026
O -0.164286 3.167826 1.438921
O -5.601527 -1.635204 1.511963
O 5.590712 -1.649159 -1.512820
N -4.893763 -1.179630 -0.680503
N 4.890720 -1.184656 0.680224
C -1.500061 1.254859 -0.181501
C 1.499540 1.253625 0.182741
C -2.184755 0.850019 0.973513
C 2.179944 0.843580 -0.972640
C -1.911743 0.912054 -1.478614
C 1.914287 0.914565 1.479612
C -3.755783 -0.357760 -0.462979
C 3.753451 -0.361786 0.463251
C -3.323546 0.028536 0.836875
C 3.317857 0.020722 -0.836561
C -3.049317 0.094581 -1.613470
C 3.051049 0.095792 1.614092
C -5.748324 -1.766244 0.264207
C 5.741419 -1.775900 -0.265091
C -6.879025 -2.584528 -0.357387
C 6.873306 -2.593028 0.355844
H -1.853545 1.192354 1.959313
H 1.846637 1.183297 -1.958553
H -1.374854 1.300161 -2.349880
H 1.380285 1.306574 2.350814
H -3.883075 -0.308867 1.710257
H 3.874317 -0.320522 -1.710418
H -3.396125 -0.187016 -2.615455
H 3.400402 -0.182797 2.616058
H -5.117506 -1.366996 -1.661090
H 5.117284 -1.368767 1.660780
H -7.545745 -1.946922 -0.967055
H -7.469437 -3.036636 0.451496
H -6.487534 -3.390818 -1.004876
H 7.544216 -1.953193 0.958551
H 7.458979 -3.050989 -0.453193
H 6.483368 -3.394722 1.009937


