%chk=000168908.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168908

0 1
 S   -1.992400       1.244600       1.502300    
 O    1.122700      -2.585700     -0.3438000    
 O   -1.796200      -2.125800      -1.328600    
 O   -5.537500      0.8048000      -1.619000    
 O   -5.442400      -1.222600     -0.5815000    
 N    3.214900       2.756000      -1.467100    
 N   0.1686000     -0.8350000      0.8441000    
 N   -2.956300     -0.8149000      0.2544000    
 C    2.451800     -0.6495000      8.0100000E-02
 C    3.478600       1.508000     -0.7527000    
 C    4.264400      0.4843000       1.420700    
 C    4.827200     -0.6302000     -0.7700000    
 C    2.180500      0.6746000     -0.6634000    
 C    2.966300     -0.3369000       1.498800    
 C    3.526500      -1.446900     -0.6836000    
 C    3.986700       1.802300      0.6753000    
 C    4.548700      0.6910000      -1.509300    
 C    5.326200     -0.3196000      0.6514000    
 C    1.193300      -1.465400      0.1575000    
 C   -1.149200      -1.460800       1.049600    
 C   -2.292700     -0.5603000       1.536500    
 C   -3.566700      0.2922000     -0.4535000    
 C   -1.973800      -1.621200     -0.2431000    
 C   -3.526300       1.519500      0.4821000    
 C   -4.718700       1.628000       1.442300    
 C   -3.370900       2.819400     -0.3094000    
 C   -4.933300     -0.1497000     -0.8700000    
 H    4.626600      0.7010000       2.431900    
 H    5.588200      -1.203100      -1.311800    
 H    1.789800      0.4625000      -1.668800    
 H    1.405200       1.265300     -0.1584000    
 H    3.147200      -1.268700       2.051000    
 H    2.231800      0.2268000       2.086500    
 H    3.181800      -1.692300      -1.697100    
 H    3.729700      -2.403300     -0.1834000    
 H    3.245800       2.390100       1.233300    
 H    4.904200       2.404400      0.6390000    
 H    5.479800       1.266400      -1.596700    
 H    4.215100      0.4739000      -2.532800    
 H    6.263500      0.2481000      0.6034000    
 H    5.546400      -1.253400       1.183100    
 H    2.489600       3.285400     -0.9846000    
 H    2.847800       2.553600      -2.396300    
 H   -1.061300      -2.396800       1.613800    
 H   0.3255000      9.3900003E-02   1.224000    
 H   -2.865300     -0.9316000       2.391200    
 H   -2.976200      0.4578000      -1.364700    
 H   -4.886700      0.7007000       2.001600    
 H   -4.574900       2.436200       2.169500    
 H   -5.644300       1.854300      0.9015000    
 H   -2.503500       2.787400     -0.9789000    
 H   -4.253300       3.013900     -0.9281000    
 H   -3.247500       3.682300      0.3557000    
 H   -6.436900      0.5340000      -1.901800    


%chk=000168908-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168908

0 1
S -2.227092 0.316031 1.775968
O 1.162617 -2.067780 -1.216135
O -2.163472 1.183922 -2.430383
O -6.578653 1.515132 -0.301732
O -6.111859 -0.715648 -0.775427
N 5.589406 0.651334 -2.631365
N 0.053544 -0.182491 -0.443695
N -3.280639 -0.045168 -0.651995
C 2.558145 -0.249366 -0.333116
C 4.794189 0.483607 -1.394750
C 3.864815 1.712297 0.629968
C 4.762184 -0.639872 0.889439
C 3.366861 -0.089895 -1.664596
C 2.444777 1.145294 0.345981
C 3.349168 -1.213319 0.608487
C 4.648295 1.862904 -0.699995
C 5.543892 -0.484259 -0.441468
C 4.630759 0.746920 1.573540
C 1.216097 -0.912735 -0.692491
C -1.241876 -0.679225 -0.826338
C -2.385643 -0.813722 0.251977
C -4.291484 0.837435 -0.071606
C -2.224904 0.326173 -1.534775
C -4.083714 0.864474 1.514429
C -4.984577 -0.149495 2.252706
C -4.254641 2.289298 2.068995
C -5.717499 0.413216 -0.433667
H 3.764319 2.704341 1.112049
H 5.307778 -1.335419 1.556654
H 3.442386 -1.076912 -2.159712
H 2.824089 0.589120 -2.354594
H 1.886597 1.068161 1.302622
H 1.903940 1.855631 -0.314764
H 3.412501 -2.206915 0.127942
H 2.795395 -1.342277 1.560469
H 4.120783 2.566966 -1.377887
H 5.656762 2.278390 -0.514721
H 6.560039 -0.086681 -0.257809
H 5.658986 -1.472962 -0.932678
H 5.634615 1.158090 1.798253
H 4.091966 0.647261 2.537163
H 5.182065 1.333722 -3.283926
H 5.787244 -0.238695 -3.106532
H -1.083888 -1.615743 -1.390423
H 0.113079 0.733558 0.003634
H -2.718098 -1.819142 0.541426
H -4.137735 1.857794 -0.470442
H -4.883016 -1.169770 1.844857
H -4.713616 -0.177593 3.320923
H -6.048043 0.149107 2.177253
H -3.541239 2.991411 1.603696
H -5.280659 2.645082 1.861675
H -4.099432 2.307027 3.162031
H -7.507412 1.240386 -0.532918


