%chk=000076866.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076866

0 1
 S  -0.1640000      0.4325000     -0.6994000    
 S    3.214800      0.4141000      -1.358500    
 P    1.755700      0.2852000      0.1571000    
 O    1.904100      -1.132200      0.9427000    
 O    1.950700       1.435800       1.113800    
 O   -3.279800       1.535800      4.0000002E-03
 N   -3.284200     -0.7853000     -0.1153000    
 C   -1.311500      0.3514000      0.6901000    
 C   -2.724500      0.4503000      0.1651000    
 C    4.798500      0.3154000     -0.5009000    
 C    1.759900      -2.356300      0.2445000    
 C   -4.619900     -0.9466000     -0.6433000    
 H   -1.164200     -0.5826000       1.240500    
 H   -1.127800       1.182900       1.377000    
 H   -2.728200      -1.624800      1.8200001E-02
 H    5.615000      0.3692000      -1.225000    
 H    4.868400     -0.6288000      4.4900000E-02
 H    4.893300       1.144400      0.2048000    
 H    2.513800      -2.439000     -0.5416000    
 H   0.7593000      -2.433800     -0.1865000    
 H    1.900600      -3.177300      0.9521000    
 H   -4.541100      -1.151000      -1.713800    
 H   -5.217100     -4.5800000E-02 -0.4828000    
 H   -5.086600      -1.798400     -0.1430000    


%chk=000076866-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076866

0 1
S -0.162887 -0.117674 -1.624654
S 3.420251 0.102524 -0.973884
P 1.402561 -0.239957 0.096535
O 1.387638 -1.904886 0.613451
O 1.106679 0.736318 1.319390
O -3.531329 1.624635 -0.094021
N -2.804534 -0.598015 -0.079229
C -1.272198 1.215139 -0.824540
C -2.641366 0.745331 -0.312327
C 4.409694 0.546606 0.583923
C 1.669403 -2.960939 -0.381362
C -4.043710 -1.151313 0.477115
H -0.709215 1.652810 0.022756
H -1.425739 1.991574 -1.589004
H -2.024055 -1.219189 -0.311256
H 5.311116 1.062843 0.219029
H 4.680392 -0.362393 1.138488
H 3.813005 1.226765 1.210491
H 2.666774 -2.817055 -0.836221
H 0.890854 -2.979069 -1.167372
H 1.644347 -3.897516 0.194771
H -4.484708 -1.902125 -0.203606
H -4.754779 -0.319208 0.604397
H -3.862994 -1.620108 1.461829


