%chk=000149559.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149559

0 1
 S    5.609100     -0.6188000       1.279400    
 O    1.695500      0.9720000      -2.916900    
 O    6.852800     -0.2697000       1.940400    
 O    4.639100      -1.471700       1.937200    
 N  -0.4414000      0.5554000      -1.133400    
 N   -4.071900     -3.0300001E-02  0.8773000    
 N    4.870000      0.8292000      0.7106000    
 N   -3.712700      -4.791300      0.3477000    
 C   -1.672400      0.3569000     -0.4517000    
 C   -2.160100     -0.9406000     -0.2651000    
 C   -2.385800       1.460500      2.7000001E-02
 C   -3.380900      -1.090000      0.4143000    
 C   -3.597800       1.217200      0.6951000    
 C   0.8844000      0.6245000     -0.6853000    
 C   -1.464200      -2.067700     -0.7358000    
 C   -1.919400       2.775300     -0.1464000    
 C   -3.871600      -2.379200      0.6031000    
 C    1.938900      0.8328000      -1.582900    
 C   -4.312400       2.311800       1.174000    
 C    1.164900      0.4847000      0.6793000    
 C   -3.182700      -3.501500      0.1368000    
 C    3.524400      0.7594000      0.2386000    
 C   -1.976400      -3.345900     -0.5340000    
 C    3.254000      0.8998000      -1.122600    
 C    2.479800      0.5517000       1.139500    
 C   -2.653000       3.852400      0.3419000    
 C   -3.851900       3.619800       1.003500    
 C    6.043400      -1.379100     -0.2690000    
 C    1.698100     -0.2177000      -3.702800    
 H  -0.5634000      0.7021000      -2.131100    
 H  -0.5207000      -1.981500      -1.268200    
 H  -0.9883000       2.993000     -0.6632000    
 H   -4.817000      -2.513700       1.128000    
 H   -5.254900       2.155700       1.695800    
 H   0.3725000      0.3249000       1.405900    
 H   -1.427700      -4.207600     -0.9044000    
 H    4.065700       1.061500      -1.828200    
 H    2.673200      0.4536000       2.204500    
 H   -2.291400       4.866900      0.2058000    
 H   -4.432300       4.453200       1.388300    
 H    5.478800       1.437300      0.1465000    
 H   -4.590700      -4.904400      0.8367000    
 H   -3.214500      -5.604500      1.1200000E-02
 H    6.679800     -0.6962000     -0.8349000    
 H    6.592400      -2.297600     -4.9100000E-02
 H    5.133800      -1.619600     -0.8214000    
 H   0.9435000     -0.9244000      -3.343600    
 H    2.687700     -0.6854000      -3.684200    
 H    1.459300      5.3199999E-02  -4.734800    


%chk=000149559-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000149559

0 1
S 3.135998 -1.998640 -1.824689
O 2.272602 1.227851 -2.159209
O 2.376037 -1.252630 -0.241799
O 4.186958 -0.989858 -2.587778
N 0.354586 0.170530 -0.713800
N -3.658469 -0.663902 0.630215
N 4.578705 2.395928 2.060299
N -2.336829 -4.741374 2.868846
C -0.927352 -0.135708 -0.197160
C -1.242154 -1.309656 0.555619
C -1.992274 0.776171 -0.536754
C -2.634487 -1.511150 0.974580
C -3.347344 0.439346 -0.119482
C 1.667167 0.128933 -0.111141
C -0.292788 -2.339438 0.895078
C -1.782689 2.008981 -1.247604
C -2.977475 -2.658263 1.757197
C 2.565894 1.151561 -0.798820
C -4.427048 1.316447 -0.491264
C 1.693885 0.255173 1.397427
C -2.019610 -3.620882 2.105715
C 3.658845 1.782421 1.326323
C -0.661301 -3.450758 1.637369
C 3.537661 1.851061 -0.140495
C 2.632526 0.999251 2.043011
C -2.851251 2.840148 -1.583326
C -4.190557 2.482338 -1.213455
C 1.604204 -1.978034 -2.983532
C 3.222279 1.940262 -3.031732
H 0.349545 0.687051 -1.597740
H 0.742699 -2.250672 0.551253
H -0.766633 2.333583 -1.501485
H -4.025933 -2.753774 2.057671
H -5.431915 1.023856 -0.171527
H 0.949883 -0.321135 1.952047
H 0.085328 -4.219661 1.873187
H 4.233738 2.500981 -0.681776
H 2.667467 1.052403 3.135723
H -2.667788 3.779853 -2.115677
H -5.022380 3.141169 -1.486604
H 5.261521 2.922244 1.470458
H -3.283086 -4.887438 3.208840
H -1.626430 -5.425037 3.113014
H 0.758043 -2.424293 -2.442290
H 1.425889 -0.927444 -3.246036
H 1.890854 -2.571690 -3.865601
H 4.199567 1.430906 -2.981696
H 3.296464 3.003778 -2.737734
H 2.803046 1.855612 -4.044265


