%chk=000124843.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124843

0 1
 S   -3.238300      -1.094800     -0.9002000    
 O   0.2579000       2.259000      0.5133000    
 O    4.405500      0.4535000     -0.7317000    
 N  -0.6524000     -0.5788000      0.7735000    
 N   -3.940900       1.146400      0.3416000    
 N    2.676900      -1.018400     -0.2224000    
 N    2.344400       1.378300     -0.1126000    
 N   0.6756000      -2.323100      0.3691000    
 C   -2.724100      0.4440000     -7.2800003E-02
 C   -1.846800      0.1478000       1.132600    
 C   0.5592000     -6.1400000E-02  0.4148000    
 C   -4.959400      0.8795000     -0.6748000    
 C   -4.984200     -0.6252000     -0.9009000    
 C    1.352600      -1.149400      0.1726000    
 C  -0.5325000      -1.944000      0.7312000    
 C   0.9858000       1.294900      0.2930000    
 C    3.233000      0.2755000     -0.3823000    
 C    3.489500      -2.202600     -0.4711000    
 C    2.898100       2.718900     -0.2730000    
 H   -2.180000       1.045700     -0.8105000    
 H   -2.381400     -0.4562000       1.878800    
 H   -1.551200       1.066700       1.649600    
 H   -3.765200       2.146600      0.4218000    
 H   -4.720500       1.412200      -1.604400    
 H   -5.938700       1.233800     -0.3374000    
 H   -5.494100      -1.144100     -8.2900003E-02
 H   -5.462800     -0.8895000      -1.847400    
 H   -1.342700      -2.611800      0.9913000    
 H    4.506000      -1.938600     -0.7736000    
 H    3.025300      -2.790300      -1.269100    
 H    3.537600      -2.798900      0.4453000    
 H    2.174100       3.506400     -5.2299999E-02
 H    3.249800       2.830100      -1.303600    
 H    3.759500       2.822800      0.3946000    


%chk=000124843-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124843

0 1
S -3.373892 -1.018189 -1.215933
O 0.153787 2.237371 0.402318
O 4.426017 0.549265 -0.675426
N -0.672142 -0.752777 0.779693
N -3.807053 1.273503 0.182733
N 2.752383 -1.016924 -0.168695
N 2.293725 1.357719 -0.129650
N 0.820763 -2.452280 0.422627
C -2.652227 0.442202 -0.211437
C -1.929527 -0.040366 1.067834
C 0.543671 -0.156308 0.402518
C -5.018500 1.060350 -0.640116
C -5.141791 -0.462040 -0.794421
C 1.432557 -1.225724 0.200425
C -0.453889 -2.120396 0.765709
C 0.912893 1.225630 0.246812
C 3.231729 0.302200 -0.344168
C 3.661668 -2.161467 -0.375394
C 2.828821 2.724801 -0.327245
H -1.929076 0.952486 -0.878056
H -2.600483 -0.705169 1.634713
H -1.689420 0.845548 1.681046
H -3.555015 2.258405 0.329720
H -4.959808 1.528340 -1.649265
H -5.898503 1.473062 -0.112252
H -5.464634 -0.942968 0.141371
H -5.794333 -0.754750 -1.630829
H -1.236796 -2.836646 1.000407
H 4.647569 -1.758226 -0.647899
H 3.276853 -2.808356 -1.181330
H 3.733518 -2.757359 0.549658
H 2.004832 3.428872 -0.141308
H 3.210580 2.835829 -1.355181
H 3.661324 2.909360 0.371123


