%chk=000153460.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153460

0 1
 S  -0.3115000      -1.082400      0.8476000    
 O   -2.613300      -1.786500      -2.799400    
 O  -0.7375000      -1.663000      -1.657700    
 O   -6.937000     -0.3905000       1.372200    
 O   -6.820200     -0.9267000     -0.7578000    
 N    1.392800       1.007800      0.4783000    
 N  -0.7490000       1.501700      0.1485000    
 N    6.838300      -2.532700      0.4484000    
 N   -1.984300      -1.578400      -1.737000    
 N   -6.278700     -0.7004000      0.3507000    
 C    2.585600      0.2475000      0.7840000    
 C    1.371600       2.336200      0.1383000    
 C    3.217500     -0.4188000     -0.4426000    
 C   0.1031000      0.5544000      0.4709000    
 C   2.3600001E-02   2.620500     -6.2600002E-02
 C    4.492000      -1.163200     -0.1297000    
 C    2.384800       3.284600     -6.3999998E-03
 C  -0.3542000       3.923000     -0.4302000    
 C    1.990800       4.575800     -0.3724000    
 C   0.6462000       4.891300     -0.5811000    
 C   -2.090900     -0.9821000      0.6519000    
 C    5.702200     -0.5004000     -0.2023000    
 C    4.431200      -2.496900      0.2263000    
 C   -2.718800      -1.229300     -0.5678000    
 C   -2.848100     -0.6430000       1.772300    
 C   -4.107000      -1.137000     -0.6677000    
 C    6.843300      -1.227700      9.5500000E-02
 C    5.629300      -3.134900      0.5047000    
 C   -4.865700     -0.7979000      0.4525000    
 C   -4.236400     -0.5508000       1.672500    
 H    2.344800     -0.4929000       1.554800    
 H    3.301900      0.9305000       1.257400    
 H    3.421900      0.3363000      -1.213700    
 H    2.500100      -1.107600     -0.9080000    
 H    3.430100       3.044500      0.1506000    
 H   -1.396200       4.178100     -0.5945000    
 H    2.746200       5.347600     -0.4977000    
 H   0.3709000       5.903800     -0.8653000    
 H    5.770800      0.5460000     -0.4771000    
 H    3.491700      -3.034000      0.2912000    
 H   -2.378200     -0.4457000       2.732900    
 H   -4.605000      -1.327500      -1.615500    
 H    7.823400     -0.7636000      5.7300001E-02
 H    5.647800      -4.181400      0.7906000    
 H   -4.794800     -0.2835000       2.566000    


%chk=000153460-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153460

0 1
S -0.408915 -0.362744 1.931470
O -1.969852 -0.057632 -2.401285
O -0.227060 -0.679314 -1.075801
O -6.906283 -2.030350 0.941654
O -6.364983 -1.610241 -1.237893
N 1.443861 1.351125 0.695753
N -0.741605 2.065020 0.581918
N 6.370932 -2.961047 0.425362
N -1.481449 -0.455235 -1.279321
N -6.072970 -1.691005 0.015661
C 2.596341 0.456359 0.885753
C 1.466803 2.595288 0.035075
C 3.007217 -0.275923 -0.427221
C 0.094572 1.103649 0.985236
C 0.096422 3.022206 -0.036652
C 4.173169 -1.211821 -0.166250
C 2.526823 3.371414 -0.477486
C -0.233601 4.253006 -0.646629
C 2.177731 4.597568 -1.081380
C 0.820708 5.030700 -1.166102
C -2.039369 -0.753572 1.205292
C 5.517907 -0.781789 -0.299305
C 3.961194 -2.544565 0.270759
C -2.427901 -0.720471 -0.164862
C -3.017105 -1.128691 2.164996
C -3.751894 -1.004876 -0.555357
C 6.569578 -1.676736 0.002018
C 5.072503 -3.371418 0.549632
C -4.682748 -1.376400 0.426981
C -4.328985 -1.459280 1.791805
H 2.338591 -0.290072 1.656909
H 3.444775 1.049739 1.273858
H 3.276413 0.476967 -1.189967
H 2.130843 -0.828545 -0.804789
H 3.572223 3.051659 -0.416085
H -1.275618 4.580110 -0.705684
H 2.967329 5.233094 -1.496666
H 0.598169 5.989541 -1.645999
H 5.748568 0.232625 -0.645670
H 2.944413 -2.939060 0.380266
H -2.739072 -1.127675 3.223232
H -4.039357 -0.949871 -1.608504
H 7.615966 -1.366224 -0.098553
H 4.931619 -4.406135 0.882585
H -5.080805 -1.748578 2.530142


