%chk=000065678.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065678

0 1
 S   -5.588400       1.260300     -0.4408000    
 O    4.793600      -1.799400       2.016000    
 O    2.136500      -1.145400       1.522400    
 O   0.8989000       2.679200      0.7498000    
 O    2.224900       1.502200       2.218000    
 O   -4.008000      -2.243400     -0.1332000    
 N    3.922600      -1.125300      -1.515700    
 N   -3.151500     -0.1032000      0.2075000    
 C    4.248700     -1.5000000E-03  -2.399900    
 C    4.518700     -0.9334000     -0.2046000    
 C    4.202700      -2.090400      0.7461000    
 C    5.770600      9.4999999E-02  -2.559700    
 C    3.702000       1.286100      -1.774300    
 C    3.590700     -0.2448000      -3.762200    
 C    2.705900      -2.317100      0.9466000    
 C   0.8338000     -0.8726000       1.200700    
 C   0.3746000      0.4402000       1.153200    
 C  -2.5500000E-02  -1.930900      0.9196000    
 C  -0.9557000      0.6973000      0.8221000    
 C   -1.820900     -0.3597000      0.5396000    
 C   -1.355900      -1.673800      0.5883000    
 C    1.262100       1.557900       1.443300    
 C   -4.169900      -1.025300     -0.1083000    
 C    1.699000       3.849300      0.9505000    
 C   -5.469300     -0.4259000     -0.4576000    
 C    1.144800       4.976400      0.1053000    
 C   -6.603700      -1.072500     -0.7978000    
 C   -7.648500     -0.1416000      -1.065700    
 C   -7.232600       1.162200     -0.9090000    
 H    4.258700      -1.998600      -1.921200    
 H    5.611400     -0.8715000     -0.2452000    
 H    4.175200     -1.9099999E-02  0.2896000    
 H    4.664500      -3.011500      0.3705000    
 H    6.280600      0.4845000      -1.672600    
 H    6.020800      0.7858000      -3.374600    
 H    6.214200     -0.8736000      -2.819000    
 H    4.286000       1.645300     -0.9206000    
 H    3.722600       2.100400      -2.509700    
 H    2.657400       1.173200      -1.460700    
 H    3.960000      -1.167200      -4.225900    
 H    3.798200      0.5785000      -4.455300    
 H    2.501600     -0.3310000      -3.668900    
 H    2.257900      -2.577500     -2.0099999E-02
 H    2.553300      -3.145300       1.648900    
 H    4.616100      -2.555400       2.601300    
 H   0.2842000      -2.969900      0.9799000    
 H   -1.339300       1.714900      0.7927000    
 H   -1.958800      -2.548400      0.3927000    
 H   -3.408200      0.8815000      0.1889000    
 H    2.732700       3.637400      0.6557000    
 H    1.672700       4.130600       2.008900    
 H   -6.713700      -2.147500     -0.8610000    
 H    1.733500       5.888700      0.2351000    
 H    1.148700       4.700500     -0.9544000    
 H   0.1044000       5.185000      0.3756000    
 H   -8.654200     -0.4143000      -1.358500    
 H   -7.815600       2.061900      -1.047100    


%chk=000065678-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065678

0 1
S -6.125531 1.637059 -0.121379
O 4.579040 -1.534907 2.289157
O 2.174617 -0.791610 0.765660
O 0.493054 3.026713 1.055307
O 2.424795 1.950404 0.329329
O -4.286298 -2.021138 -0.211835
N 4.925727 -1.585161 -1.409996
N -3.362971 0.126285 0.058486
C 4.945000 -0.625706 -2.565626
C 4.951835 -1.029882 -0.036825
C 4.264768 -2.011473 0.933793
C 6.121221 0.391948 -2.470839
C 3.594871 0.131353 -2.626095
C 5.108064 -1.488146 -3.841303
C 2.762368 -2.138076 0.659547
C 0.818655 -0.631765 0.520852
C 0.305850 0.705980 0.521415
C -0.077935 -1.712369 0.318738
C -1.087238 0.902344 0.377248
C -1.979287 -0.180169 0.195627
C -1.458781 -1.501093 0.154449
C 1.205535 1.892239 0.617994
C -4.425526 -0.758169 -0.128288
C 1.284797 4.289850 1.131372
C -5.775430 -0.146567 -0.230177
C 0.338717 5.372806 1.640976
C -6.954696 -0.859088 -0.420730
C -8.133501 -0.038789 -0.484612
C -7.873801 1.316659 -0.343435
H 5.660111 -2.297746 -1.534389
H 5.973711 -0.835485 0.355142
H 4.396731 -0.078621 -0.002227
H 4.688598 -3.032973 0.789169
H 6.036368 1.010222 -1.558785
H 6.123708 1.074454 -3.341352
H 7.095298 -0.133843 -2.443554
H 3.413964 0.734757 -1.719374
H 3.580089 0.812845 -3.497095
H 2.763346 -0.589358 -2.728018
H 6.071790 -2.035465 -3.834287
H 5.087620 -0.854021 -4.745420
H 4.289130 -2.226413 -3.910671
H 2.629107 -2.525860 -0.369498
H 2.277793 -2.820806 1.391224
H 3.922712 -1.900205 2.934242
H 0.296635 -2.738909 0.292979
H -1.457620 1.932742 0.402147
H -2.139742 -2.339748 0.000191
H -3.588340 1.123384 0.110492
H 1.684475 4.514455 0.125408
H 2.141558 4.122548 1.808676
H -6.944479 -1.947349 -0.509172
H 0.879978 6.333010 1.723697
H -0.511362 5.513362 0.951122
H -0.058596 5.111443 2.636665
H -9.140404 -0.436438 -0.629910
H -8.565000 2.157782 -0.351014


