%chk=000005335.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005335

0 1
 S  -0.2991000      -2.184800      0.3841000    
 O  -0.7039000      -3.528100      1.3500000E-02
 O   0.2792000      -1.941700       1.691700    
 N    2.540400      5.6100000E-02 -0.1781000    
 N   0.7244000      -1.572100     -0.8441000    
 N    3.857400      7.5800002E-02  0.1164000    
 N   -5.107300       1.273100     -0.1458000    
 C    2.077900      -1.197800     -0.4831000    
 C   -1.730700      -1.156000      0.2267000    
 C    1.798200       1.222700     -0.1542000    
 C    3.157500      -2.040800     -0.3809000    
 C   -2.751500      -1.547500     -0.6205000    
 C   -1.798800      1.8999999E-02  0.9529000    
 C    4.225200      -1.202100     -8.8999998E-03
 C   -3.879100     -0.7360000     -0.7456000    
 C   -2.926600      0.8304000      0.8280000    
 C   0.6989000       1.367500      -1.000600    
 C    2.149600       2.255200      0.7154000    
 C   -3.966700      0.4529000     -2.1299999E-02
 C  -4.8900001E-02   2.544800     -0.9772000    
 C    1.401600       3.432300      0.7389000    
 C   0.3023000       3.577200     -0.1074000    
 H   0.7146000      -2.140700      -1.702200    
 H    3.172800      -3.107700     -0.5499000    
 H   -2.699000      -2.464400      -1.199000    
 H  -0.9982000      0.3299000       1.616900    
 H    5.255700      -1.468800      0.1761000    
 H   -4.682300      -1.040000      -1.411900    
 H   -2.982100       1.755000       1.396800    
 H   0.4189000      0.6274000      -1.742200    
 H    2.994100       2.169200       1.394700    
 H  -0.8968000       2.663500      -1.645600    
 H    1.673600       4.235600       1.417400    
 H  -0.2789000       4.494400     -9.0700001E-02
 H   -5.169400       2.136600      0.3768000    
 H   -5.860800       1.001800     -0.7634000    


%chk=000005335-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005335

0 1
S -0.374217 -2.095960 0.386085
O -0.735698 -3.659631 0.042847
O 0.362417 -1.654602 1.775927
N 2.631887 0.031641 -0.215350
N 0.961079 -1.480375 -1.197385
N 3.939670 0.001701 0.252449
N -5.498142 1.074472 -0.168884
C 2.225545 -1.240247 -0.682676
C -1.936561 -1.105652 0.201005
C 1.916157 1.276215 -0.149762
C 3.345160 -2.097740 -0.497518
C -2.995237 -1.663254 -0.541100
C -2.022336 0.156404 0.818882
C 4.359983 -1.289550 0.061925
C -4.188356 -0.932026 -0.662288
C -3.218007 0.882294 0.695472
C 0.780918 1.515827 -0.963031
C 2.398928 2.282807 0.724508
C -4.317596 0.352502 -0.048681
C 0.131397 2.766908 -0.889510
C 1.738819 3.526318 0.784439
C 0.602023 3.777336 -0.020320
H 0.937483 -2.401455 -1.680143
H 3.379223 -3.160382 -0.729142
H -2.891742 -2.659011 -0.983867
H -1.180224 0.551666 1.395167
H 5.373897 -1.559566 0.350406
H -5.028742 -1.353079 -1.225968
H -3.306750 1.863027 1.176376
H 0.417585 0.731412 -1.630252
H 3.282528 2.076536 1.332513
H -0.744806 2.948585 -1.521774
H 2.114603 4.300723 1.462091
H 0.094892 4.747192 0.027642
H -5.604512 1.980095 0.279513
H -6.289071 0.700768 -0.685897


