%chk=000103432.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103432

0 1
 S    3.020000       1.013300     -0.1424000    
 O    3.388500       2.071900      0.7771000    
 O    2.279800       1.307600      -1.354400    
 N    2.206900     -0.2287000      0.7008000    
 N   -3.944800      0.9328000     -0.4601000    
 N   -4.245200       2.048800      0.2851000    
 C   0.7114000      -2.180400      0.5511000    
 C    1.991100      -1.526800      3.6899999E-02
 C  -0.5232000      -1.354900      0.2830000    
 C  -0.9371000     -0.4259000       1.224500    
 C   -1.221400      -1.540700     -0.9000000    
 C   -2.791200      0.1610000     -0.2092000    
 C   -2.078400      0.3368000      0.9768000    
 C   -2.362600     -0.7778000      -1.147600    
 C    4.506400      0.1628000     -0.6215000    
 H   0.5976000      -3.169600      8.9800000E-02
 H   0.7943000      -2.366100       1.630300    
 H    2.845100      -2.178700      0.2484000    
 H    1.919000      -1.391900      -1.047800    
 H    2.415200     -0.3116000       1.704600    
 H  -0.3930000     -0.2839000       2.153900    
 H  -0.8941000      -2.267800      -1.637600    
 H   -2.386100       1.052700       1.734200    
 H   -2.908700     -0.9241000      -2.076100    
 H    4.265700     -0.6410000      -1.318500    
 H    5.159000      0.8868000      -1.115400    
 H    4.999300     -0.2219000      0.2733000    
 H   -4.404100      0.8188000      -1.356500    
 H   -5.249200       2.214500      0.2314000    
 H   -3.803000       2.858600     -0.1481000    


%chk=000103432-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103432

0 1
S 2.923061 0.413686 -0.999617
O 2.340640 1.923237 -0.819515
O 2.605414 -0.473264 -2.337607
N 2.440175 -0.572428 0.555518
N -3.699004 1.381480 -0.552540
N -4.569946 2.014550 0.348152
C 0.586025 -2.252532 0.890648
C 1.957652 -1.951604 0.233249
C -0.525801 -1.279473 0.509000
C -1.399408 -0.758603 1.494933
C -0.739881 -0.875647 -0.838871
C -2.661837 0.511343 -0.182007
C -2.456357 0.118702 1.169582
C -1.782464 0.000346 -1.182477
C 4.807913 0.471519 -0.796212
H 0.316622 -3.288575 0.598896
H 0.703173 -2.263481 1.991486
H 2.711434 -2.672727 0.597997
H 1.885298 -2.074717 -0.867900
H 1.661165 0.013338 0.928552
H -1.256320 -1.047949 2.544378
H -0.075973 -1.234840 -1.634362
H -3.114008 0.499757 1.957863
H -1.914258 0.305410 -2.228113
H 5.155340 -0.569859 -0.798970
H 5.184148 1.042765 -1.656172
H 4.993626 0.972357 0.162450
H -3.770810 1.693154 -1.520299
H -5.243863 1.378745 0.789458
H -4.104556 2.649911 1.008499


