%chk=000146278.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146278

1 1
 S   -4.330300     -0.6619000     -4.3000001E-03
 O    3.825900      3.7799999E-02  0.3621000    
 O   -4.829800      -2.141800      0.4655000    
 O   -4.399100     -0.5837000      -1.452000    
 O   -4.963300      0.3339000      0.8409000    
 N   0.4185000       1.492400     -8.5000001E-02
 N    4.092200      -2.010600     -0.7444000    
 C  -0.3506000      0.2820000      0.4244000    
 C    1.860800       1.415900      0.3945000    
 C   -1.813700      0.3634000      1.1000000E-02
 C   0.3901000       1.507900      -1.606600    
 C  -0.2265000       2.764000      0.4474000    
 C    2.489300      0.1329000     -0.1124000    
 C   -2.640200     -0.8263000      0.4799000    
 C    4.546200      -1.065000      8.1000002E-03
 C    5.930600      -1.040800      0.5708000    
 H   6.1799999E-02 -0.6273000     -1.8700000E-02
 H  -0.2430000      0.2446000       1.514500    
 H    2.400100       2.297600      2.7899999E-02
 H    1.860400       1.453400       1.490700    
 H   -1.910500      0.4301000      -1.077300    
 H   -2.287900       1.258200      0.4263000    
 H  -0.5794000       1.881300      -1.949100    
 H   0.5520000      0.4984000      -1.994600    
 H    1.169200       2.190400      -1.961000    
 H   0.4477000       3.599200      0.2309000    
 H   -1.178200       2.948000     -5.7000000E-02
 H  -0.3597000       2.664400       1.528800    
 H    2.522300      0.1041000      -1.205500    
 H    1.977000     -0.7546000      0.2633000    
 H   -2.612900     -0.9205000       1.569900    
 H   -2.257200      -1.749500      3.2900002E-02
 H   -4.511400      -2.892900     -8.8399999E-02
 H    6.528700     -0.3060000      2.5599999E-02
 H    5.894900     -0.7694000       1.629500    
 H    6.400900      -2.023500      0.4795000    
 H    4.808800      -2.730000     -0.8861000    


%chk=000146278-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146278

1 1
S -4.550961 -0.649463 -0.047391
O 3.926999 0.069194 0.418374
O -4.984675 -1.929447 1.205920
O -5.087610 -1.062722 -1.512106
O -4.817125 0.841858 0.525353
N 0.433672 1.390677 -0.160705
N 4.391793 -1.928540 -0.674450
C -0.423718 0.127928 0.121927
C 1.865673 1.164783 0.388616
C -1.918742 0.289474 -0.204784
C 0.483358 1.689278 -1.660132
C -0.139999 2.608797 0.568514
C 2.586664 -0.071205 -0.170224
C -2.658161 -1.015958 0.122648
C 4.827221 -0.979319 0.091086
C 6.163769 -0.732573 0.746685
H 0.021726 -0.686356 -0.473600
H -0.277624 -0.101437 1.192926
H 2.446902 2.070273 0.145192
H 1.781010 1.088520 1.486119
H -2.070542 0.533361 -1.272256
H -2.376955 1.095946 0.396154
H -0.513678 1.999970 -2.003196
H 0.802360 0.790328 -2.206143
H 1.201321 2.505430 -1.833296
H 0.566192 3.445924 0.459213
H -1.107676 2.886464 0.128647
H -0.266467 2.365466 1.634475
H 2.667025 -0.083945 -1.272840
H 2.145307 -1.031595 0.150089
H -2.559950 -1.338676 1.170638
H -2.488368 -1.848506 -0.576506
H -5.977223 -2.056956 1.227489
H 6.590039 0.225698 0.401937
H 6.048498 -0.666806 1.842612
H 6.871311 -1.541970 0.510645
H 5.082335 -2.667798 -0.885631


