%chk=000102338.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102338

0 1
 S  -7.0299998E-02  -1.355500     -0.2800000    
 P    1.826000     -0.8788000      0.4759000    
 O    2.320300      0.5145000     -0.2011000    
 O    2.941100      -1.944500     -3.7799999E-02
 O    1.787500     -0.7980000       1.980100    
 O  -0.5430000       1.514400      -1.501400    
 O   -3.028400      0.1027000      -1.232800    
 N  -0.1719000       2.182800      0.6861000    
 N   -3.256200      -1.109000      0.7303000    
 C   -1.149400      1.8000000E-03  0.2852000    
 C  -0.5988000       1.296600     -0.2919000    
 C   -2.565900     -0.3123000     -0.1712000    
 C   0.3901000       3.472100      0.3597000    
 C   -4.616800      -1.536600      0.5013000    
 C    3.607300       1.012200      0.1232000    
 C    3.128600      -2.162300      -1.425500    
 H   -1.117800      2.6600000E-02   1.379500    
 H  -0.2791000       1.947000       1.667900    
 H   -2.809100      -1.389800       1.598000    
 H  -0.4282000       4.189000      0.2557000    
 H   0.9526000       3.419000     -0.5760000    
 H    1.049200       3.779400       1.174800    
 H   -4.792600      -1.695500     -0.5658000    
 H   -5.289500     -0.7590000      0.8718000    
 H   -4.786600      -2.464900       1.051400    
 H    3.701300       1.128600       1.206000    
 H    3.733000       1.988700     -0.3509000    
 H    4.380500      0.3353000     -0.2472000    
 H    3.122500      -1.218700      -1.976600    
 H    2.339200      -2.816300      -1.803800    
 H    4.094100      -2.652000      -1.573900    


%chk=000102338-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102338

0 1
S 0.469019 -0.228008 -1.271137
P 2.247080 0.007686 0.131596
O 3.527534 -0.265535 -0.990024
O 2.241029 -1.308044 1.238307
O 2.275288 1.382034 0.946459
O -2.410606 1.908107 -0.420110
O -1.494465 -2.197143 0.482427
N -0.393181 2.489645 0.595672
N -3.070703 -0.698951 -0.396315
C -0.802431 0.115050 0.160267
C -1.276665 1.581646 0.082575
C -1.841928 -1.032864 0.097657
C -0.657732 3.934204 0.565212
C -4.156038 -1.676390 -0.519999
C 4.843246 0.386496 -0.749848
C 1.877543 -2.685003 0.784798
H -0.242239 -0.050671 1.097005
H 0.548308 2.172274 0.897938
H -3.209051 0.308308 -0.618682
H -0.613274 4.356598 1.585042
H -1.663102 4.097182 0.147590
H 0.086084 4.453423 -0.066473
H -3.766011 -2.669628 -0.247015
H -4.533347 -1.706438 -1.558336
H -4.995984 -1.423623 0.153459
H 4.715143 1.465138 -0.555110
H 5.398922 0.224123 -1.684601
H 5.363549 -0.095905 0.095822
H 2.474473 -2.976334 -0.097012
H 0.793936 -2.732662 0.576306
H 2.135304 -3.317216 1.647530


