%chk=000125271.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125271

0 1
 S  -0.7183000      0.2674000      -2.177200    
 O  -0.2736000       1.276500       2.339900    
 O    2.545000       1.728100       1.669100    
 O   -5.241900     -0.8284000      -1.547800    
 O   -2.228900      -1.502700       2.135600    
 O   -3.821400      0.1282000       2.320900    
 O    1.534700       3.702600      -2.041000    
 O   0.3316000      -2.687400      0.2909000    
 O    1.391500      -4.416100     -0.7231000    
 N   -1.410300      0.8206000      0.3256000    
 N    1.534600       1.264500     -0.3665000    
 N   0.4273000       3.389500     -8.2000000E-03
 N    3.604500      -2.939000      -1.257900    
 C   0.2563000       1.939700     -8.1500001E-02
 C  -0.9833000       1.501100     -0.8834000    
 C  -0.4735000       1.338900       1.149200    
 C   -2.462000     -3.6800001E-02  0.3779000    
 C   -2.452700     -0.2997000      -2.146600    
 C   -3.013000     -0.5495000     -0.7481000    
 C    2.577100       1.221100      0.5509000    
 C   -4.230000      -1.442400     -0.7778000    
 C    3.787700      0.4893000     -3.8000001E-03
 C   -2.933200     -0.4344000       1.712700    
 C    1.051800       4.128000     -0.9994000    
 C    4.188500     -0.7401000      0.8128000    
 C    3.058300      -1.779000      0.8864000    
 C    2.556400      -2.284700     -0.4753000    
 C    1.396900      -3.255200     -0.3343000    
 H   -1.660900       2.316300      -1.167300    
 H    1.665700      0.8266000      -1.274700    
 H   8.1500001E-02   3.903400      0.7988000    
 H   -3.070200      0.4421000      -2.664400    
 H   -2.479900      -1.226700      -2.729100    
 H   -3.987100      -2.419400      -1.210000    
 H   -4.642800      -1.625400      0.2176000    
 H    4.616600       1.208400      1.3800000E-02
 H    3.651400      0.2277000      -1.058000    
 H    1.070100       5.198200     -0.7363000    
 H    4.441000     -0.4329000       1.835000    
 H    5.093800      -1.186100      0.3865000    
 H    3.411200      -2.631400       1.482500    
 H    2.220100      -1.357100       1.455300    
 H    2.168600      -1.459700      -1.080200    
 H   -5.026400     -0.9589000      -2.486900    
 H   -2.511900      -1.802800       3.025600    
 H    4.345000      -2.272200      -1.469900    
 H    4.040000      -3.674100     -0.7016000    
 H  -0.4173000      -3.314600      0.3812000    


%chk=000125271-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125271

0 1
S -0.929453 0.784956 -2.651659
O -0.335793 0.604514 2.219648
O 3.218202 2.445018 -0.687315
O -5.626986 -0.420299 -2.035515
O -1.670723 -1.879570 1.298384
O -3.920918 -1.379003 1.617903
O -1.222100 3.716891 1.145751
O 0.736708 -1.866643 0.175692
O 1.093690 -3.483809 1.796398
N -1.494496 0.665643 0.065966
N 1.476717 0.873517 -0.518817
N 0.825120 3.056621 0.250354
N 3.714014 -3.825544 0.907151
C 0.368920 1.723293 -0.070069
C -0.948882 1.589938 -0.959388
C -0.491758 0.935115 1.036949
C -2.595880 -0.185725 -0.101020
C -2.830238 0.542199 -2.519250
C -3.269238 -0.256358 -1.302743
C 2.786230 1.243688 -0.777965
C -4.457536 -1.174602 -1.535317
C 3.718082 0.096209 -1.160964
C -2.858577 -1.152361 1.018904
C -0.010335 3.959141 0.865071
C 4.481833 -0.492324 0.064597
C 3.585434 -1.249101 1.074361
C 3.013578 -2.610312 0.495348
C 1.549323 -2.737004 0.900209
H -1.518876 2.529956 -1.010647
H 1.256504 -0.138386 -0.529665
H 1.818036 3.260926 0.000330
H -3.280151 1.549685 -2.541148
H -3.110135 0.018007 -3.449814
H -4.183940 -1.979390 -2.251754
H -4.806751 -1.631380 -0.599336
H 4.452558 0.514158 -1.870550
H 3.158601 -0.700450 -1.685899
H 0.483933 4.927814 1.087958
H 5.006352 0.334749 0.579509
H 5.266844 -1.173082 -0.322412
H 4.169280 -1.504610 1.977730
H 2.770360 -0.580979 1.412084
H 3.026514 -2.537343 -0.610206
H -5.533867 -0.258415 -3.008262
H -1.746410 -2.448987 2.109889
H 4.729482 -3.812546 0.808334
H 3.365227 -4.244446 1.773079
H -0.219897 -1.887868 0.536012


