%chk=000006024.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006024

0 1
 S  -0.6675000       1.876900      -1.505400    
 S    6.529500     -0.3938000     -0.7022000    
 O    1.017400     -0.2220000       2.285200    
 O   -4.946500      0.1451000     -0.6374000    
 O   -2.631800      -1.138100       2.450700    
 O    3.690400       1.204500       1.457200    
 O   -1.325200      -2.470100       1.128400    
 O   -6.353400      -1.607800      -1.171600    
 N  -0.6392000      0.6064000      0.8258000    
 N    2.059500       1.731700     -0.1074000    
 C  -0.4868000       1.947400      0.2915000    
 C   0.9566000       1.897700      0.8387000    
 C   0.5181000      0.5707000       1.521400    
 C   -1.707200     -0.1917000      0.5685000    
 C   -2.571200      8.5299999E-02 -0.4370000    
 C   -2.374600       1.237200      -1.420100    
 C   -3.823100     -0.7049000     -0.7335000    
 C    3.351300       1.394200      0.2903000    
 C   -1.846500      -1.404400       1.388500    
 C    4.326200       1.259700     -0.8624000    
 C    4.857900     -0.1460000     -0.8943000    
 C   -6.165800     -0.4339000     -0.8820000    
 C    4.152900      -1.299800      -1.064500    
 C    5.009900      -2.437900      -1.037300    
 C    6.328600      -2.088100     -0.8471000    
 C   -7.259400      0.5817000     -0.7442000    
 H   -1.127200       2.682200      0.7938000    
 H    1.168900       2.696600       1.559100    
 H   -3.045600       2.062500      -1.158200    
 H   -2.627600      0.9084000      -2.433600    
 H    1.885200       1.865800      -1.100300    
 H   -3.755100      -1.117800      -1.747800    
 H   -3.950700      -1.544500     -4.2199999E-02
 H    5.115500       2.006300     -0.7174000    
 H    3.842700       1.484200      -1.819700    
 H   -2.752800      -1.923100       3.026400    
 H    3.080400      -1.345700      -1.203500    
 H    4.676000      -3.461000      -1.151600    
 H    7.183600      -2.746500     -0.7864000    
 H   -7.109400       1.386900      -1.467600    
 H   -7.271000      0.9764000      0.2748000    
 H   -8.223700      0.1066000     -0.9457000    


%chk=000006024-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000006024

0 1
S -0.388587 0.910909 -1.218457
S 5.414255 -1.117796 -0.135367
O 0.972485 -0.866238 2.692627
O -5.028987 -0.018953 -0.546869
O -1.881511 -0.624500 3.698959
O 3.366793 3.050138 1.055541
O -3.125299 -2.169218 2.488746
O -4.875665 -0.930016 -2.695248
N -0.753865 0.379413 1.479184
N 2.310115 1.073426 0.421810
C -0.269293 1.455835 0.591101
C 1.154856 1.303606 1.251039
C 0.545605 0.062918 1.995494
C -1.957585 -0.341763 1.334318
C -2.679241 -0.277356 0.158303
C -2.245425 0.540177 -1.049883
C -3.997392 -0.990775 -0.041619
C 3.366208 1.973729 0.391242
C -2.387610 -1.153727 2.513927
C 4.540298 1.602526 -0.543582
C 4.573535 0.191376 -1.065195
C -5.419943 -0.139938 -1.890903
C 4.014517 -0.326296 -2.228940
C 4.229489 -1.742923 -2.409218
C 4.959127 -2.321559 -1.384078
C -6.571116 0.793481 -2.186790
H -0.788166 2.417772 0.714750
H 1.387759 2.150170 1.921447
H -2.775290 1.509453 -1.064977
H -2.516446 0.000803 -1.974338
H 2.385384 0.213806 -0.130570
H -3.892128 -1.794704 -0.795564
H -4.410389 -1.404187 0.886453
H 5.460589 1.861793 0.008660
H 4.491014 2.308548 -1.394761
H -2.111713 -1.228114 4.455555
H 3.469533 0.295248 -2.945294
H 3.858530 -2.306618 -3.268271
H 5.267127 -3.357778 -1.257438
H -6.401619 1.780699 -1.727029
H -7.499373 0.382096 -1.750715
H -6.701275 0.891834 -3.274150


