%chk=000032289.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032289

0 1
 S   -2.006200      -1.865600     -3.4499999E-02
 O    2.958100      0.5371000     -0.1580000    
 O  -0.9838000      -1.955800      0.9955000    
 O   -3.165800      -2.741900      1.1500000E-02
 O    2.154600      0.2462000       1.988500    
 N   -1.265900      -2.009100      -1.566300    
 C    4.123700     -0.2481000      7.6899998E-02
 C    5.111000     -3.6800001E-02  -1.072700    
 C    3.716300      -1.710900      0.1918000    
 C   -2.572000     -0.2081000     -9.8300003E-02
 C   -1.796400      0.8579000      0.3314000    
 C    5.504300       1.425700      -1.234200    
 C   -3.850500      3.3300001E-02 -0.6015000    
 C  -0.4408000      0.6496000      0.8701000    
 C   -2.269900       2.160500      0.2694000    
 C    1.988800      0.4567000      0.7975000    
 C   0.6812000      0.6695000      0.1365000    
 C   -4.338500       1.338100     -0.6695000    
 C   -3.548300       2.401700     -0.2340000    
 H    4.596700      8.1100002E-02   1.011000    
 H    6.012500     -0.6376000     -0.9064000    
 H    4.660300     -0.3719000      -2.015100    
 H    3.118400      -2.020700     -0.6730000    
 H    4.598100      -2.357400      0.2515000    
 H    3.111600      -1.907400       1.082100    
 H    5.951900       1.814300     -0.3139000    
 H    4.639900       2.047700      -1.486900    
 H    6.238700       1.530900      -2.039000    
 H   -4.483900     -0.7753000     -0.9552000    
 H  -0.4048000      0.5014000       1.947100    
 H   -1.666400       2.999800      0.6056000    
 H   0.6586000      0.8314000     -0.9360000    
 H   -5.333100       1.526500      -1.063100    
 H   -3.928200       3.417800     -0.2872000    
 H  -0.2401000      -2.057800      -1.597900    
 H   -1.732000      -2.595900      -2.269000    


%chk=000032289-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032289

0 1
S -3.059562 -1.636799 1.056494
O 3.127306 0.224003 -0.626842
O -2.128917 -1.539736 2.388454
O -4.638637 -2.031207 1.150107
O 2.121177 -1.211600 0.931389
N -2.194877 -2.829883 -0.035547
C 4.485103 -0.336979 -0.283866
C 5.488816 0.780664 -0.603329
C 4.700430 -1.623111 -1.094116
C -2.964374 -0.022577 0.049830
C -1.719386 0.583281 -0.268642
C 5.320422 2.029286 0.286376
C -4.215717 0.490389 -0.321047
C -0.423694 0.006129 0.131209
C -1.808501 1.801604 -1.007775
C 2.028994 -0.312317 0.056937
C 0.783896 0.338266 -0.413407
C -4.257597 1.695459 -1.056479
C -3.048077 2.345725 -1.395375
H 4.473705 -0.566882 0.799104
H 6.506401 0.360104 -0.478229
H 5.385126 1.054733 -1.671224
H 4.654098 -1.413311 -2.177599
H 5.693582 -2.050793 -0.864298
H 3.936736 -2.377484 -0.841448
H 5.459079 1.779250 1.354952
H 4.310649 2.459063 0.166429
H 6.058884 2.807544 0.022166
H -5.125846 -0.045856 -0.032141
H -0.422187 -0.747361 0.929610
H -0.885670 2.334026 -1.258207
H 0.901121 1.061919 -1.226280
H -5.221504 2.120243 -1.353438
H -3.073888 3.285972 -1.956157
H -1.559861 -3.394492 0.552740
H -2.889128 -3.390372 -0.555653


