%chk=000075593.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075593

0 1
 S    1.129000      -1.490100     -0.5730000    
 O   0.5096000     -0.6499000      0.6848000    
 O    1.051800     -0.6755000      -1.773500    
 O   0.5728000      -2.832700     -0.5322000    
 O    7.212100      0.2184000      0.3509000    
 O  -0.4198000       1.736000     -0.3670000    
 O   -3.088400       2.385800     -0.1505000    
 O   -5.335000       1.283200       2.124800    
 N    6.343100       2.732300     -0.3112000    
 N    6.999600       3.596400     -0.3415000    
 C    3.719500     -0.5390000     -0.2254000    
 C    2.839700      -1.633400     -0.1970000    
 C    5.083400     -0.7391000      9.4599999E-02
 C    3.298100      -2.906600      0.1423000    
 C    3.275400      0.7495000     -0.5644000    
 C    5.527300      -2.027600      0.4338000    
 C    5.963200      0.3552000      6.6299997E-02
 C    4.639300      -3.103400      0.4571000    
 C  -0.8188000     -0.3154000      0.7876000    
 C    4.163500       1.825300     -0.5874000    
 C    5.504800       1.628500     -0.2728000    
 C   -3.510700      0.3356000       1.009000    
 C   -1.280500      0.8828000      0.2579000    
 C   -2.632100       1.209600      0.3690000    
 C   -1.686400      -1.192400       1.426600    
 C   -3.037900     -0.8654000       1.537900    
 C   -4.925400      0.6574000       1.137100    
 C   -5.931300      0.2593000      0.1081000    
 C   -5.501800     -0.4367000     -0.9982000    
 C   -7.248500      0.6040000      0.3069000    
 C   -6.441800     -0.8088000      -1.959300    
 C   -8.188500      0.2316000     -0.6540000    
 C   -7.785200     -0.4748000      -1.787100    
 H    2.643400      -3.771900      0.1776000    
 H    2.243600      0.9959000     -0.7767000    
 H    6.563600      -2.238600      0.6886000    
 H    4.995500      -4.094700      0.7222000    
 H    3.795800       2.815900     -0.8430000    
 H   -1.322800      -2.128300       1.841100    
 H   -3.712500      -1.554600       2.039500    
 H   -4.467100     -0.7140000      -1.167300    
 H   -7.586100       1.153200       1.180200    
 H  -0.9116000       2.297200     -0.9882000    
 H   -2.357500       3.022500     -0.2063000    
 H   -6.128400      -1.358800      -2.841800    
 H   -9.234500      0.4917000     -0.5204000    
 H   -8.517000     -0.7647000      -2.535400    


%chk=000075593-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000075593

0 1
S 1.654156 -1.906497 -0.638282
O 0.223523 0.459063 0.957249
O 1.515380 -0.543208 -1.886683
O 1.327095 -3.338284 -1.373447
O 7.791149 0.228055 0.557471
O -1.171420 0.271529 -1.502052
O -3.825804 0.621042 -1.698268
O -5.753294 2.205149 1.583687
N 6.452573 2.284619 1.815640
N 7.248994 3.030090 2.254934
C 4.240719 -0.764303 -0.012413
C 3.549538 -1.834817 -0.648658
C 5.680063 -0.819896 -0.055632
C 4.192263 -2.901124 -1.282485
C 3.563639 0.330833 0.661507
C 6.341373 -1.893064 -0.708964
C 6.517608 0.233718 0.574067
C 5.609825 -2.926335 -1.318886
C -1.041553 0.612952 0.941942
C 4.282998 1.337307 1.269221
C 5.726872 1.317572 1.239569
C -3.966991 0.922414 0.724531
C -1.781206 0.517424 -0.404931
C -3.252662 0.690912 -0.445504
C -1.863107 0.890301 2.110577
C -3.227228 1.054939 1.984612
C -5.435483 1.260033 0.788140
C -6.463612 0.529622 0.001727
C -6.228008 -0.767242 -0.528072
C -7.744013 1.129570 -0.156273
C -7.256969 -1.452698 -1.204788
C -8.764780 0.449879 -0.846475
C -8.523611 -0.844004 -1.371207
H 3.579218 -3.687312 -1.740865
H 2.471702 0.368319 0.685582
H 7.435882 -1.887301 -0.716778
H 6.128375 -3.747394 -1.823473
H 3.774754 2.163481 1.775815
H -1.361022 0.974130 3.078252
H -3.833523 1.306725 2.861078
H -5.250676 -1.243126 -0.399316
H -7.912547 2.123843 0.270264
H 0.589086 -0.154558 -1.753332
H -3.094901 0.461181 -2.365928
H -7.074847 -2.456509 -1.602514
H -9.745538 0.919494 -0.975732
H -9.319491 -1.375620 -1.904610


