%chk=000126413.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126413

0 1
 S   -5.865100       1.107700      7.1199998E-02
 O   -5.825000       2.223500      -1.123100    
 O   -6.687100      5.1000002E-03 -0.4056000    
 O   -6.187200       1.789200       1.315300    
 O    6.235300       2.294700      8.8000000E-02
 N    1.487600      -2.426800     -7.9400003E-02
 N    4.025900       1.683900     -0.4629000    
 C   -1.581600     -0.3931000      0.4519000    
 C   -2.480100      -1.035900     -0.4328000    
 C   0.1613000      -1.961300     -0.1975000    
 C  -0.2642000     -0.8683000      0.5579000    
 C   -3.797500     -0.5608000     -0.5388000    
 C   -4.222900      0.5324000      0.2166000    
 C   -2.034800      -2.134700      -1.185400    
 C   -2.027000      0.7057000       1.204500    
 C  -0.7224000      -2.593200      -1.067500    
 C   -3.339300       1.164300       1.086500    
 C    2.651200      -1.729800      0.1015000    
 C    2.762800     -0.3673000     -0.2695000    
 C    3.949500      0.3426000     -8.6199999E-02
 C    3.798000      -2.339300      0.6670000    
 C    5.060300     -0.2886000      0.4739000    
 C    4.984500      -1.629600      0.8504000    
 C    5.121400       2.551100     -0.3573000    
 C    4.796500       3.928400     -0.8788000    
 H   0.4127000     -0.3869000       1.261600    
 H   -4.485600      -1.050900      -1.224700    
 H   -2.707900      -2.644100      -1.871900    
 H   -1.353200       1.216400       1.889300    
 H  -0.4018000      -3.445200      -1.661700    
 H   -3.645500       2.022000       1.678800    
 H    1.589200      -3.429100     -0.2024000    
 H    1.922400      0.1420000     -0.7377000    
 H    3.758600      -3.384600      0.9677000    
 H    6.011800      0.1943000      0.6473000    
 H    5.848900      -2.122000       1.286800    
 H    3.174300       2.072200     -0.8631000    
 H   -5.551100       1.885800      -2.008200    
 H    4.542700       3.870600      -1.941000    
 H    5.661900       4.585300     -0.7550000    
 H    3.952300       4.346300     -0.3232000    


%chk=000126413-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126413

0 1
S -6.065915 0.952473 0.142554
O -5.949924 2.031068 -1.374479
O -7.003298 -0.321372 -0.202745
O -6.413015 1.911788 1.400700
O 6.409612 2.262366 0.248916
N 1.531510 -2.384316 -0.277390
N 4.207561 1.725246 -0.373983
C -1.576435 -0.308043 0.260315
C -2.557702 -1.155717 -0.392966
C 0.208151 -1.917611 -0.294925
C -0.208267 -0.709904 0.299592
C -3.925989 -0.751576 -0.433122
C -4.276086 0.447303 0.176476
C -2.114821 -2.389725 -0.976425
C -2.017006 0.915004 0.876467
C -0.777053 -2.758596 -0.933547
C -3.355584 1.303567 0.839514
C 2.730688 -1.680193 0.017322
C 2.894728 -0.308424 -0.292398
C 4.127060 0.344925 -0.028694
C 3.819776 -2.404013 0.574216
C 5.215157 -0.374045 0.534731
C 5.041276 -1.745566 0.816931
C 5.291620 2.599939 -0.237776
C 5.023541 4.021767 -0.727892
H 0.509296 -0.083799 0.837169
H -4.684807 -1.377589 -0.915350
H -2.847372 -3.040359 -1.466812
H -1.282284 1.548824 1.385235
H -0.451858 -3.697795 -1.397755
H -3.705643 2.224214 1.315270
H 1.651089 -3.380833 -0.468072
H 2.080974 0.239625 -0.780228
H 3.699266 -3.464164 0.825576
H 6.156670 0.139022 0.732403
H 5.876510 -2.307898 1.248191
H 3.360018 2.124280 -0.783323
H -6.843461 2.467268 -1.495435
H 5.755344 4.271758 -1.515219
H 5.190393 4.724848 0.106165
H 4.006081 4.178253 -1.126707


