%chk=000158712.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158712

0 1
 S   0.4879000       1.757800      -1.166300    
 P    1.542400      0.6404000      0.2684000    
 O    1.100800     -0.9235000      0.2194000    
 O    3.113200      0.5843000     -0.1491000    
 O    1.340700       1.231200       1.640200    
 C   -4.258200      0.1104000     -9.6199997E-02
 C   -3.498000     -0.9217000      0.7419000    
 C   -3.692800       1.524600      4.6500001E-02
 C   -4.082400      -2.315100      0.5692000    
 C    1.216400      -1.656700     -0.9881000    
 C    4.007100     -0.1661000      0.6553000    
 C   -2.283700       1.604800     -0.3624000    
 C   0.7397000      -3.073900     -0.7518000    
 C    5.399400     -6.7000002E-02  6.9499999E-02
 C   -1.132600       1.670400     -0.6964000    
 H   -5.313400      0.1198000      0.2028000    
 H   -4.228500     -0.1890000      -1.151900    
 H   -3.538600     -0.6414000       1.800800    
 H   -2.441300     -0.9555000      0.4548000    
 H   -4.290400       2.211600     -0.5637000    
 H   -3.792200       1.855700       1.086800    
 H   -4.024300      -2.638100     -0.4752000    
 H   -5.131600      -2.341900      0.8801000    
 H   -3.529000      -3.036300       1.178800    
 H   0.6023000      -1.188700      -1.762400    
 H    2.258200      -1.661100      -1.321400    
 H    3.997800      0.2364000       1.673100    
 H    3.689300      -1.212100      0.6894000    
 H   0.8124000      -3.668600      -1.666700    
 H    1.335200      -3.555100      3.1099999E-02
 H  -0.3004000      -3.078500     -0.4089000    
 H    6.117400     -0.6321000      0.6703000    
 H    5.414300     -0.4533000     -0.9550000    
 H    5.724000      0.9776000      2.0600000E-02


%chk=000158712-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158712

0 1
S 0.770784 1.797701 -0.884825
P 1.606853 0.243696 0.729418
O 0.797158 -1.246138 0.384016
O 3.172545 0.078719 -0.010383
O 1.587733 0.587546 2.278107
C -4.108627 0.057812 -0.234269
C -3.465458 -0.935835 0.758959
C -3.584684 1.515106 -0.069287
C -3.964689 -2.382119 0.555154
C 0.808229 -1.795014 -1.008093
C 4.393730 0.201074 0.851543
C -2.141081 1.642243 -0.329384
C 0.055755 -3.120036 -0.936126
C 5.580664 0.151699 -0.104494
C -0.923979 1.704511 -0.555824
H -5.208305 0.066563 -0.093139
H -3.918188 -0.279229 -1.272204
H -3.684117 -0.608931 1.795809
H -2.363435 -0.900986 0.650008
H -4.131737 2.187103 -0.760973
H -3.808174 1.872525 0.956472
H -3.730586 -2.742908 -0.465106
H -5.060982 -2.451636 0.689354
H -3.492096 -3.073924 1.276064
H 0.308375 -1.071504 -1.679497
H 1.857910 -1.923598 -1.330161
H 4.348466 1.153292 1.411057
H 4.407079 -0.634611 1.575473
H 0.019099 -3.580798 -1.940924
H 0.557900 -3.820069 -0.247479
H -0.977839 -2.962902 -0.583764
H 6.522764 0.237288 0.468433
H 5.596274 -0.799998 -0.662194
H 5.533759 0.982656 -0.828242


