%chk=000168007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168007

0 1
 S    1.605100       1.336600      0.1309000    
 O   -1.935500      -1.026700      -2.152300    
 O    1.326200      -2.319100       1.075900    
 O   -4.878600      0.3190000       2.271500    
 O   -5.984000       1.579200      0.7446000    
 O    4.501400     -0.7241000      0.7153000    
 O    2.221200       3.004000      -1.881500    
 O    5.818400      -2.466300       1.330500    
 O    2.863700       4.876400     -0.1414000    
 O    2.311800       3.446600       1.571300    
 N  -0.6042000     -0.9974000     -0.2491000    
 N    2.832300      -2.167800     -0.6822000    
 N   -6.772100     -0.7321000     -0.5338000    
 C   0.6719000      -1.100900     -0.9184000    
 C   -4.331400     -0.8127000     -0.7127000    
 C   -2.988800     -0.8458000      2.0400001E-02
 C   -5.529600     -0.7620000      0.2417000    
 C   -1.811400     -0.9689000     -0.9320000    
 C    1.242300      0.2672000      -1.299900    
 C    1.617700      -1.931900     -5.3900000E-02
 C   -5.511500      0.5012000       1.083300    
 C    3.901800      -2.910000     -5.6699999E-02
 C    2.131200       2.753900     -0.6994000    
 C    4.841300      -2.034000      0.7313000    
 C    2.460600       3.715600      0.3966000    
 H   0.5127000      -1.669900      -1.844200    
 H   -4.413400      -1.700300      -1.354300    
 H   -4.345600      5.7900000E-02  -1.382900    
 H   -2.960400      -1.695500      0.7127000    
 H   -2.843600      7.2999999E-02  0.5994000    
 H   -5.547400      -1.638100      0.8994000    
 H  -0.6087000     -0.9190000      0.7641000    
 H    2.163500      0.1570000      -1.881200    
 H   0.5201000      0.7931000      -1.935500    
 H    2.986300      -1.827700      -1.626300    
 H   -6.826600      -1.562200      -1.123000    
 H   -7.570400     -0.7815000      9.8499998E-02
 H    4.467300      -3.397800     -0.8556000    
 H    3.476500      -3.659800      0.6168000    
 H   -4.858400       1.142100       2.804700    
 H    5.126700     -0.1756000       1.235400    
 H    3.067500       5.550900      0.5411000    


%chk=000168007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168007

0 1
S 0.802118 1.840052 -0.371312
O -1.993859 -0.980365 -2.139152
O 1.200368 -1.750620 1.424308
O -5.086721 -0.871927 2.294371
O -7.121931 0.141078 1.856069
O 5.250124 -1.426195 -1.177188
O 3.406722 1.547866 -1.235761
O 6.367546 -1.874015 0.815636
O 4.342414 3.671023 0.214246
O 2.174794 4.124334 0.942972
N -0.807957 -1.069220 -0.151010
N 2.868179 -1.227233 -0.095725
N -6.841058 -0.135341 -0.841748
C 0.496589 -0.993615 -0.810154
C -4.395048 -0.396089 -0.522322
C -3.257461 -1.329136 -0.050161
C -5.820215 -0.793702 -0.032381
C -1.985927 -1.109652 -0.870208
C 0.715933 0.353658 -1.539437
C 1.554550 -1.343157 0.270505
C -6.098705 -0.437934 1.429084
C 3.932231 -1.576216 0.848026
C 2.594471 2.199564 -0.542319
C 5.305782 -1.650716 0.202895
C 2.980439 3.432718 0.286734
H 0.541150 -1.766538 -1.609747
H -4.417387 -0.424834 -1.627445
H -4.193561 0.652974 -0.239340
H -3.570022 -2.382582 -0.209391
H -3.068487 -1.211969 1.029661
H -5.872003 -1.914862 -0.063438
H -0.771367 -1.281339 0.854691
H 1.645904 0.360606 -2.134252
H -0.145652 0.529466 -2.201779
H 3.153300 -0.819943 -0.991264
H -6.928325 -0.449764 -1.806506
H -7.707910 0.110780 -0.361378
H 3.709069 -2.549096 1.324853
H 3.994302 -0.847719 1.680571
H -5.343619 -0.641707 3.228745
H 6.165062 -1.437636 -1.566134
H 4.572066 4.475605 0.755286


