%chk=000030711.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030711

0 1
 S   -1.003400       2.080200       2.775700    
 O   -5.539700     -0.7150000     -0.5170000    
 O  -0.3209000      0.2947000      -1.838200    
 N   -3.104600      0.7532000     -0.6433000    
 N  -0.9350000       1.212700      0.2120000    
 N   0.8224000      0.6466000       1.505300    
 C    1.089800      4.0700000E-02  0.1610000    
 C   -2.202600       1.808400     -0.1865000    
 C  -0.1323000      0.5087000     -0.6479000    
 C   -3.364800     -0.2129000      0.4331000    
 C   -4.370600       1.321800      -1.126400    
 C    1.169500      -1.482900      0.3493000    
 C    2.356300      0.6073000     -0.5035000    
 C  -0.3164000       1.252200       1.413900    
 C   -4.317000      -1.297000     -6.3500002E-02
 C   -5.300000      0.2018000      -1.585400    
 C    2.187100      -2.036900       1.125700    
 C    2.733100      0.1691000      -1.772800    
 C   0.2245000      -2.310700     -0.2564000    
 C    3.127600       1.558700      0.1636000    
 C    2.259600      -3.419300       1.296700    
 C    3.881400      0.6828000      -2.375400    
 C   0.2971000      -3.693100     -8.5400000E-02
 C    4.275900       2.072400     -0.4389000    
 C    1.314500      -4.247600      0.6911000    
 C    4.652800       1.634400      -1.708500    
 C   0.5157000       2.569800       3.621800    
 H   -1.978600       2.480300      -1.023800    
 H   -2.640700       2.403200      0.6199000    
 H   -3.812300      0.2941000       1.298000    
 H   -2.449900     -0.7110000      0.7689000    
 H   -4.186500       1.998800      -1.968300    
 H   -4.858800       1.896000     -0.3282000    
 H   -3.870100      -1.888600     -0.8719000    
 H   -4.559300      -1.983400      0.7541000    
 H   -6.265400      0.6193000      -1.888400    
 H   -4.887500     -0.3388000      -2.446000    
 H    2.929200      -1.406600       1.608400    
 H    2.152500     -0.5771000      -2.307800    
 H  -0.5934000      -1.933300     -0.8590000    
 H    2.869000       1.922700       1.153000    
 H    3.051100      -3.850900       1.902200    
 H    4.176000      0.3404000      -3.363000    
 H  -0.4404000      -4.338200     -0.5540000    
 H    4.877400       2.812800      8.0300003E-02
 H    1.370300      -5.323800      0.8251000    
 H    5.547300       2.033800      -2.177500    
 H    1.057300       1.693600       3.988600    
 H   0.2601000       3.197200       4.480000    
 H    1.161200       3.146700       2.953700    


%chk=000030711-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030711

0 1
S -1.331547 1.608459 2.505167
O -5.896580 -0.341939 0.600845
O -0.235163 0.362503 -2.354550
N -3.360684 0.931961 0.089273
N -0.964023 1.026029 -0.203232
N 0.773109 0.378355 1.168663
C 1.161596 -0.001624 -0.236957
C -2.253440 1.620597 -0.582950
C -0.051098 0.455720 -1.114489
C -4.595567 1.740116 0.227427
C -3.643434 -0.426495 -0.439015
C 1.349779 -1.536227 -0.346635
C 2.466714 0.735636 -0.630597
C -0.408920 0.940493 1.100871
C -5.586273 0.993003 1.137772
C -4.656484 -1.128770 0.479082
C 1.464899 -2.328774 0.821183
C 2.741181 1.104705 -1.970301
C 1.450819 -2.152045 -1.619810
C 3.435421 0.988477 0.373354
C 1.679121 -3.722072 0.716752
C 3.971114 1.719593 -2.298391
C 1.661339 -3.544347 -1.719204
C 4.663084 1.600100 0.040342
C 1.778667 -4.335456 -0.552455
C 4.937192 1.968033 -1.297653
C 0.088289 1.634432 3.751766
H -2.282763 1.564045 -1.695762
H -2.271522 2.683850 -0.278201
H -5.082068 1.931118 -0.760353
H -4.340998 2.715849 0.683607
H -2.704184 -1.008759 -0.467024
H -4.051387 -0.379133 -1.477900
H -5.148040 0.897778 2.154331
H -6.552327 1.521196 1.192863
H -4.963889 -2.101240 0.061534
H -4.206135 -1.275401 1.483920
H 1.384236 -1.844846 1.798651
H 1.997181 0.921961 -2.752350
H 1.352320 -1.548366 -2.527595
H 3.211437 0.709821 1.407208
H 1.768362 -4.326563 1.626693
H 4.171856 2.004386 -3.337460
H 1.735327 -4.010871 -2.708058
H 5.405642 1.789333 0.824051
H 1.945381 -5.415633 -0.632606
H 5.890628 2.442691 -1.555745
H 0.474773 0.614358 3.879324
H -0.350723 2.012495 4.687658
H 0.886283 2.298766 3.391359


