%chk=000109587.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109587

0 1
 S   -1.689000     -0.8487000      -1.053900    
 O   -1.928800      -2.279800      -1.082000    
 O   -1.345900     -0.1590000      -2.283900    
 O   0.7088000      -1.993800       1.526200    
 O    6.948500     -0.3090000      -1.049100    
 O    6.437100      0.5907000      0.9723000    
 N  -0.5079000     -0.4769000      0.1584000    
 C    1.200700       1.112000      0.9062000    
 C  -0.2389000      0.9526000      0.4309000    
 C    2.233700      0.6207000     -0.1110000    
 C    3.674100      0.7083000      0.3969000    
 C  -0.5283000      -1.305000       1.399000    
 C    4.657600      0.1409000     -0.6269000    
 C   -3.150400     -8.2999997E-02 -0.4098000    
 C   -3.427600       1.228400     -0.7489000    
 C   -3.982700     -0.8129000      0.4185000    
 C    6.082000      0.1797000     -0.1236000    
 C   -4.578300       1.831600     -0.2412000    
 C   -5.133400     -0.2096000      0.9260000    
 C   -5.431100       1.112700      0.5961000    
 H    1.382700       2.175300       1.107100    
 H    1.351900      0.5956000       1.860900    
 H  -0.3690000       1.544000     -0.4816000    
 H  -0.9336000       1.339000       1.184400    
 H    2.138000       1.209600      -1.031900    
 H    2.027800     -0.4204000     -0.3841000    
 H    3.764200      0.1545000       1.339700    
 H    3.925900       1.752700      0.6185000    
 H  -0.6896000     -0.6966000       2.294100    
 H   -1.321900      -2.055800       1.375900    
 H    4.405900     -0.9025000     -0.8468000    
 H    4.605700      0.7242000      -1.552800    
 H   -2.775500       1.806000      -1.396200    
 H   -3.767100      -1.841300      0.6900000    
 H   0.8773000      -2.422400      0.6701000    
 H   -4.809700       2.861500     -0.4970000    
 H   -5.797100     -0.7688000       1.578900    
 H   -6.326700       1.582600      0.9918000    
 H    7.875500     -0.2879000     -0.7288000    


%chk=000109587-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000109587

0 1
S -1.177722 0.244703 -0.434789
O -0.626564 -1.287824 -0.711089
O -0.735004 1.493740 -1.376905
O 0.305402 -1.418663 2.014720
O 6.221885 -1.208112 -2.131560
O 6.611165 -0.303225 -0.030877
N -0.794135 0.730612 1.338590
C 1.747649 1.312764 1.522566
C 0.269496 1.767276 1.473577
C 2.299961 0.752761 0.193846
C 3.793181 0.375315 0.303967
C -0.791756 -0.471449 2.197956
C 4.331227 -0.220399 -1.010629
C -3.062587 0.127185 -0.418000
C -3.798881 1.322344 -0.464576
C -3.636418 -1.153645 -0.406592
C 5.808200 -0.553204 -0.956610
C -5.208482 1.217792 -0.479387
C -5.048910 -1.234945 -0.420850
C -5.828327 -0.055112 -0.452731
H 2.339824 2.207078 1.810297
H 1.880496 0.561078 2.322220
H 0.118878 2.481847 0.641243
H 0.009618 2.300754 2.410673
H 2.157570 1.499373 -0.613514
H 1.721594 -0.143480 -0.106040
H 3.934245 -0.355126 1.123804
H 4.393130 1.264821 0.577032
H -0.702221 -0.112220 3.237042
H -1.773279 -0.972503 2.069146
H 3.780389 -1.139224 -1.289488
H 4.176851 0.481722 -1.854682
H -3.294587 2.292840 -0.502891
H -3.000227 -2.044642 -0.412694
H 0.219629 -1.792250 1.091773
H -5.817696 2.126663 -0.516018
H -5.534018 -2.216297 -0.413728
H -6.921150 -0.126481 -0.466211
H 7.196475 -1.402665 -2.066191


