%chk=000128556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128556

0 1
 S   -5.012800     -0.5876000       2.094700    
 O    4.564500     -0.4537000      -1.315200    
 O    4.925800      0.5471000       1.362700    
 N    1.365400       1.287500     -0.7676000    
 N   -3.249300       1.323800       1.560900    
 N   -4.668400      0.5855000     -0.1763000    
 C   -1.458100       1.615000     -4.9699999E-02
 C  -0.4634000      0.8675000      0.8449000    
 C  -0.7092000       2.626100     -0.9245000    
 C   0.6759000      0.2598000      2.3800001E-02
 C   0.4378000       1.959900      -1.687200    
 C    2.483000      0.7002000      -1.506500    
 C   -2.535900       2.302600      0.7837000    
 C    3.492500      9.9399999E-02 -0.5393000    
 C    4.039600       1.151900      0.4157000    
 C    5.648200     -0.7766000     -0.5416000    
 C   -4.264900      0.5242000       1.054400    
 C    5.817700     -0.3004000      0.7603000    
 C    6.610400      -1.610600      -1.111700    
 C    6.927500     -0.6931000       1.508800    
 C   -6.018600      -1.082700      0.7847000    
 C   -5.686500     -0.3401000     -0.3525000    
 C    7.727000      -1.991700     -0.3673000    
 C    7.882500      -1.538100      0.9429000    
 C   -7.028700      -2.057900      0.7647000    
 C   -6.391900     -0.5844000      -1.550900    
 C   -7.711400      -2.279800     -0.4340000    
 C   -7.398700      -1.553700      -1.578000    
 H   -1.931200      0.8809000     -0.7165000    
 H  -0.9638000      6.0400002E-02   1.392700    
 H  -4.5600001E-02   1.551200       1.595900    
 H  -0.3088000       3.437400     -0.3022000    
 H   -1.401400       3.086300      -1.639600    
 H    1.332800     -0.2059000      0.7627000    
 H   0.2838000     -0.5376000     -0.6211000    
 H   3.0099999E-02   1.250800      -2.419900    
 H   0.9697000       2.737900      -2.248200    
 H    2.143500     -6.7199998E-02  -2.215300    
 H    2.984600       1.467200      -2.111900    
 H   -3.225200       2.865200      0.1423000    
 H   -2.080400       3.031400       1.464900    
 H    3.076200     -0.7520000      1.0600000E-02
 H    4.589500       1.939000     -0.1166000    
 H    3.247500       1.631700      0.9982000    
 H   -2.973200       1.216800       2.533400    
 H    6.492600      -1.975300      -2.128400    
 H    7.060900     -0.3374000       2.526900    
 H    8.474200      -2.646100     -0.8068000    
 H    8.750700      -1.839800       1.521600    
 H   -7.278300      -2.628600       1.654000    
 H   -6.155700     -2.3000000E-02  -2.450400    
 H   -8.496800      -3.030100     -0.4711000    
 H   -7.940300      -1.740000      -2.501300    


%chk=000128556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128556

0 1
S -5.589900 -0.507880 2.212541
O 4.685350 -0.707389 -1.149420
O 5.372366 0.985477 1.136520
N 1.313707 0.832429 -0.591769
N -3.473861 1.268981 1.707076
N -4.838408 0.618538 -0.149133
C -1.512501 1.366254 0.100005
C -0.584381 0.516427 0.998512
C -0.660082 2.353686 -0.731529
C 0.517029 -0.169147 0.166277
C 0.446653 1.617591 -1.510689
C 2.473791 0.230944 -1.291296
C -2.581216 2.136618 0.913908
C 3.654697 -0.007611 -0.337798
C 4.243852 1.288712 0.228685
C 5.959160 -0.753239 -0.534985
C -4.507489 0.580913 1.128798
C 6.288524 0.058380 0.586747
C 6.915881 -1.641872 -1.066528
C 7.560545 -0.050527 1.184560
C -6.526656 -0.881970 0.694901
C -5.963299 -0.182248 -0.425812
C 8.193509 -1.739166 -0.474112
C 8.512236 -0.951007 0.658938
C -7.645668 -1.721259 0.561194
C -6.553987 -0.342016 -1.701225
C -8.221835 -1.867521 -0.724255
C -7.678543 -1.182883 -1.841486
H -2.050103 0.691592 -0.597182
H -1.168553 -0.257658 1.532058
H -0.104780 1.167524 1.757878
H -0.186786 3.095463 -0.056541
H -1.299921 2.907932 -1.445865
H 1.192270 -0.734741 0.833562
H 0.044949 -0.910397 -0.530695
H -0.026843 0.957770 -2.283752
H 1.080706 2.349339 -2.044849
H 2.226557 -0.737461 -1.789378
H 2.810588 0.923098 -2.085775
H -3.208191 2.729213 0.222332
H -2.086478 2.834810 1.616411
H 3.373952 -0.673251 0.503351
H 4.602205 1.937343 -0.596016
H 3.496676 1.822388 0.833600
H -3.287106 1.133776 2.698744
H 6.637977 -2.249914 -1.933425
H 7.785335 0.582699 2.048719
H 8.932383 -2.431272 -0.891136
H 9.499002 -1.030269 1.126787
H -8.067527 -2.250599 1.421183
H -6.126835 0.191130 -2.555844
H -9.095050 -2.516142 -0.851200
H -8.138503 -1.308288 -2.827793


