%chk=000079917.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079917

0 1
 S    2.164600     -0.6485000       2.085700    
 P    1.947400     -8.8299997E-02  0.2331000    
 O   0.6452000      0.8284000     -9.0599999E-02
 O    1.786100      -1.270000     -0.8735000    
 O    3.144000      0.8033000     -0.4132000    
 O   -4.441500     -0.4780000      4.9500000E-02
 N  -0.9131000     -0.7874000      0.3029000    
 N   -2.238900      -1.077400      0.3247000    
 C  -0.6100000      0.4196000     -3.0300001E-02
 C   -1.533000       1.498700     -0.3835000    
 C   -2.826900       1.180600     -0.3527000    
 C   -3.247100     -0.1890000      2.1600001E-02
 C    2.746500      -2.310900     -0.9350000    
 C    3.376600       2.118700      6.1400000E-02
 H   -1.173800       2.483500     -0.6497000    
 H   -3.594600       1.905100     -0.5969000    
 H   -2.456900      -2.032700      0.5894000    
 H    3.758100      -1.904000     -0.8555000    
 H    2.645000      -2.822300      -1.895400    
 H    2.566500      -3.029100     -0.1315000    
 H    3.653300       2.095700       1.118100    
 H    2.484400       2.734300     -7.7699997E-02
 H    4.199600       2.554800     -0.5103000    


%chk=000079917-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079917

0 1
S 2.375732 -0.453562 2.047936
P 2.226868 0.094526 0.072651
O 0.778675 1.060423 -0.372470
O 2.366705 -1.079309 -1.163614
O 3.356367 1.201369 -0.582060
O -4.278571 -1.001055 0.143371
N -0.649872 -0.772066 -0.046181
N -1.950122 -1.213431 0.076711
C -0.501802 0.540597 -0.231634
C -1.602999 1.469249 -0.319877
C -2.889138 0.985263 -0.205109
C -3.147913 -0.444720 0.014258
C 2.132123 -2.504914 -0.822836
C 3.639737 2.444643 0.174692
H -1.385604 2.528789 -0.478044
H -3.763635 1.638156 -0.265653
H -2.048683 -2.219532 0.238288
H 2.808096 -2.829073 -0.012512
H 2.362575 -3.036492 -1.757286
H 1.079369 -2.650040 -0.529465
H 3.907364 2.213913 1.222055
H 2.769446 3.122231 0.137538
H 4.496780 2.890135 -0.350161


