%chk=000125650.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125650

0 1
 S    3.581300      6.0600001E-02  0.7262000    
 O   0.7246000      -1.040700      0.9823000    
 O   -1.361700      -2.894900      -1.282600    
 O   0.5326000      -4.009900      0.3154000    
 N   -1.275300     -6.1700001E-02  0.1625000    
 N   -1.603900       2.095100     -0.2792000    
 N   -5.163700       1.179100      0.1807000    
 N   -4.328500       3.353800     -0.3498000    
 C  -0.2655000      -2.092100     -0.8946000    
 C   0.9481000      -2.902700     -0.4842000    
 C  -0.5551000      -1.314200      0.3800000    
 C    1.712900      -1.919600      0.3966000    
 C    2.706500      -1.071500     -0.3849000    
 C   -2.634000      0.1256000      0.2217000    
 C  -0.7054000       1.145900     -0.1400000    
 C   -2.812100       1.477000     -5.6899998E-02
 C    4.634100      0.8746000     -0.4976000    
 C    5.619400       1.912100      6.7599997E-02
 C   -3.687200     -0.7391000      0.4856000    
 C   -4.108500       1.992500     -7.2499998E-02
 C    6.575200       1.317200       1.103800    
 C    6.399900       2.644100      -1.026200    
 C   -4.933600     -0.1309000      0.4461000    
 H  -1.2600000E-02  -1.420100      -1.722800    
 H    1.514600      -3.296200      -1.332900    
 H   -1.138800      -1.898700       1.101100    
 H    2.217800      -2.441900       1.218400    
 H    2.191400     -0.4678000      -1.139100    
 H    3.436600      -1.715100     -0.8857000    
 H   -1.548200      -3.518700     -0.5604000    
 H    1.334700      -4.484600      0.5927000    
 H   0.3618000       1.278200     -0.2529000    
 H    3.980300       1.366800      -1.226500    
 H    5.198800      0.1025000      -1.032800    
 H    5.026600       2.679900      0.5846000    
 H   -3.557300      -1.790800      0.7011000    
 H    7.153000      0.4909000      0.6759000    
 H    7.284400       2.074700       1.455700    
 H    6.044500      0.9438000       1.984500    
 H    7.036000       1.949700      -1.585400    
 H    7.039600       3.422800     -0.5977000    
 H    5.716600       3.123700      -1.734700    
 H   -5.829200     -0.7151000      0.6373000    
 H   -5.274800       3.709200     -0.3560000    
 H   -3.548800       3.968900     -0.5394000    


%chk=000125650-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125650

0 1
S 3.499676 -0.235099 0.734779
O 0.807836 -1.846931 1.499071
O -1.680722 -3.531547 -0.413771
O 0.560016 -4.609426 0.244887
N -0.854754 -0.315259 0.687980
N -0.704961 1.969383 0.741904
N -4.124226 1.784883 -0.853786
N -2.926481 3.749883 -0.313711
C -0.577153 -2.597004 -0.375528
C 0.811532 -3.311987 -0.397231
C -0.535783 -1.738923 0.942291
C 1.718331 -2.397442 0.457723
C 2.394549 -1.294621 -0.375262
C -2.054682 0.158254 0.127580
C -0.091691 0.814463 1.051308
C -1.933728 1.576770 0.168170
C 4.051543 1.025286 -0.579081
C 4.885323 2.154560 0.063658
C -3.207874 -0.475744 -0.403472
C -3.004203 2.374427 -0.338198
C 6.211929 1.629922 0.661568
C 5.152726 3.254995 -0.993992
C -4.198360 0.411663 -0.873844
H -0.692112 -1.936538 -1.250188
H 1.195485 -3.453036 -1.425891
H -1.247011 -2.145590 1.683784
H 2.481057 -2.973162 1.012817
H 1.647811 -0.638871 -0.858420
H 3.032468 -1.753414 -1.153570
H -1.351325 -4.376896 0.002761
H 1.353861 -5.193973 0.195632
H 0.888201 0.712806 1.513513
H 3.133388 1.433442 -1.039407
H 4.641055 0.488521 -1.345755
H 4.280030 2.600176 0.879279
H -3.335283 -1.560021 -0.453812
H 6.842553 1.178685 -0.128995
H 6.784183 2.455675 1.122355
H 6.035789 0.861148 1.435128
H 5.739894 2.852841 -1.842082
H 5.729535 4.086329 -0.549334
H 4.209615 3.670852 -1.394264
H -5.125501 0.010840 -1.299372
H -3.709613 4.293195 -0.667594
H -2.105825 4.198886 0.085369


