%chk=000127111.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127111

0 1
 S   -6.204600     -9.2600003E-02  0.3943000    
 O   -7.508500      0.4445000      0.7360000    
 O   -5.996000     -0.7739000     -0.8680000    
 N   0.1750000      0.2681000      -1.329200    
 N    3.828100     -0.4528000      0.5953000    
 N   -5.028300       1.143400      0.6285000    
 N    3.066800      -5.194700      0.4819000    
 N    4.764100       4.254800      0.7996000    
 C    1.413700      2.3600001E-02 -0.6764000    
 C    1.803300      -1.290400     -0.3983000    
 C    2.232600       1.099300     -0.3181000    
 C    3.035600      -1.485200      0.2480000    
 C    3.448200      0.8110000      0.3250000    
 C    1.000200      -2.390200     -0.7472000    
 C    1.866100       2.429900     -0.5854000    
 C   -1.120600      0.4852000     -0.8425000    
 C    3.429000      -2.791200      0.5275000    
 C    4.267800       1.877700      0.6842000    
 C    2.633400      -3.886500      0.1821000    
 C    3.906800       3.201100      0.4200000    
 C    1.416500      -3.686000     -0.4566000    
 C    2.703600       3.478300     -0.2161000    
 C   -2.181000      0.7062000      -1.728500    
 C   -1.367000      0.4845000      0.5354000    
 C   -3.708500      0.9216000      0.1311000    
 C   -3.470600      0.9238000      -1.243500    
 C   -2.656600      0.7019000       1.020500    
 C   -5.749100      -1.211400       1.700200    
 H   0.2613000      0.2821000      -2.341300    
 H   4.5100000E-02  -2.269300      -1.251800    
 H   0.9345000       2.681700      -1.085500    
 H    4.381800      -2.960900       1.028200    
 H    5.214100       1.672700       1.183800    
 H   0.7855000      -4.526200     -0.7334000    
 H    2.407300       4.501500     -0.4303000    
 H   -2.010600      0.7136000      -2.802400    
 H  -0.5671000      0.3159000       1.251700    
 H   -4.277300       1.106100      -1.948700    
 H   -2.830600      0.6966000       2.093400    
 H   -5.055300       1.602800       1.548800    
 H    3.953300      -5.340600      0.9462000    
 H    2.492000      -5.988200      0.2315000    
 H    5.639900       4.053200       1.263400    
 H    4.503100       5.213200      0.6093000    
 H   -5.782600     -0.6794000       2.652700    
 H   -6.473500      -2.029000       1.709000    
 H   -4.751700      -1.608300       1.504800    


%chk=000127111-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127111

0 1
S -6.387931 0.575694 0.604864
O -7.600035 1.292221 1.427264
O -6.642234 -0.121639 -0.845304
N 0.045950 -0.265206 -1.334838
N 3.867902 -0.554045 0.644546
N -4.886657 2.003105 0.302469
N 3.822623 -5.376407 0.149857
N 4.145601 4.257958 1.134584
C 1.294790 -0.337403 -0.643540
C 1.891102 -1.616829 -0.437167
C 1.984188 0.837595 -0.222870
C 3.208928 -1.672078 0.196647
C 3.273886 0.669699 0.452424
C 1.258983 -2.856205 -0.799208
C 1.514012 2.175055 -0.464562
C -1.153139 0.302357 -0.880319
C 3.841501 -2.941241 0.380186
C 3.976702 1.827969 0.910938
C 3.215975 -4.133761 -0.017253
C 3.473971 3.120299 0.694301
C 1.893839 -4.075083 -0.603781
C 2.226516 3.279994 -0.023666
C -2.268940 0.362888 -1.773217
C -1.308191 0.796812 0.450348
C -3.647314 1.421583 -0.035627
C -3.487655 0.915492 -1.364216
C -2.540786 1.320504 0.865133
C -5.666914 -0.823954 1.733396
H -0.017324 -0.808550 -2.198793
H 0.243131 -2.845667 -1.210606
H 0.579009 2.324380 -1.012334
H 4.830604 -2.941290 0.849854
H 4.931286 1.660926 1.420582
H 1.390111 -5.009508 -0.880425
H 1.851162 4.291050 -0.224081
H -2.160365 -0.012249 -2.798484
H -0.469884 0.745922 1.150494
H -4.338191 0.979133 -2.049206
H -2.652416 1.677994 1.897384
H -4.880482 2.455142 1.241178
H 4.747170 -5.450865 0.564500
H 3.353859 -6.230403 -0.137416
H 5.027838 4.180109 1.632507
H 3.773488 5.186179 0.956683
H -5.537156 -0.389289 2.733892
H -6.428138 -1.616285 1.716384
H -4.721176 -1.144603 1.275697


