%chk=000163407.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163407

0 1
 S    2.688100      0.5709000     -0.4896000    
 S   -2.070200       1.740700     -0.5063000    
 S  -0.8847000      -2.530000     -0.2250000    
 O    3.389900       2.038500     -0.5874000    
 O   -3.530600       1.791800      0.2141000    
 O   7.1599998E-02  -3.819800     -0.5127000    
 O    2.439100      0.1036000      -1.839400    
 O    3.427000     -0.2360000      0.4590000    
 O   -1.404200       3.008000     -0.2879000    
 O   -2.246400       1.205700      -1.842100    
 O   -1.541500      -2.186900      -1.469400    
 O   -1.643000      -2.788600      0.9818000    
 N   4.3099999E-02  9.2100002E-02  0.1146000    
 C    1.105300       1.097200      0.2363000    
 C   -1.313800      0.4523000      0.5376000    
 C   0.4299000      -1.326300      0.1148000    
 C    1.349400       1.595000       1.665100    
 C   -1.454200      0.8553000       2.007900    
 C    1.145100      -1.663400       1.428500    
 H   0.8419000       1.953200     -0.3942000    
 H   -2.010800     -0.3702000      0.3742000    
 H    1.106000      -1.516700     -0.7218000    
 H    2.368500       1.973300       1.798600    
 H    1.210600      0.8438000       2.443000    
 H   0.7049000       2.448900       1.889200    
 H  -0.8877000      0.1979000       2.672500    
 H   -2.501100      0.7386000       2.316500    
 H   -1.213200       1.900100       2.207800    
 H    1.896900     -0.9802000       1.798400    
 H   0.4175000      -1.765900       2.242400    
 H    1.638900      -2.638100       1.339000    
 H    3.867200       2.340100      0.2206000    
 H   -4.098200      0.9965000      8.0799997E-02
 H   0.4084000      -4.286800      0.2876000    


%chk=000163407-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163407

0 1
S 2.059285 1.007528 -1.077929
S -2.005481 1.277284 -0.630134
S -0.166294 -2.379631 -0.612195
O 3.034565 2.594626 -0.794343
O -3.758674 1.318978 0.060220
O 0.779329 -3.932670 -0.117107
O 1.146780 1.214465 -2.392162
O 3.069879 -0.258418 -0.965143
O -1.412827 2.789313 -0.649347
O -2.020288 0.386141 -1.974858
O 0.311385 -1.957477 -2.094507
O -1.742160 -2.597554 -0.286180
N 0.154520 0.081528 0.941386
C 1.111579 1.146372 0.792632
C -1.240823 0.388673 1.113125
C 0.603565 -1.283506 1.010471
C 2.289692 1.159435 1.755667
C -1.599572 1.408437 2.183925
C 0.143792 -2.105975 2.205302
H 0.609226 2.114731 0.649766
H -1.851762 -0.526001 1.109651
H 1.673540 -1.362870 0.767040
H 2.952024 2.008058 1.525493
H 2.890531 0.235366 1.706331
H 1.902247 1.275829 2.785959
H -1.277667 1.014817 3.167123
H -2.689111 1.565648 2.202645
H -1.117146 2.387069 2.019051
H 0.518831 -1.626522 3.129727
H -0.954787 -2.188305 2.269532
H 0.555934 -3.124623 2.138870
H 3.170083 3.006794 -1.695945
H -4.372351 1.219337 -0.723720
H 0.981854 -4.422277 -0.965847


