%chk=000059393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059393

0 1
 S   -1.136600     -0.8153000     -0.2793000    
 O    1.691800      -2.202400      0.9216000    
 N   -5.097000      5.6600001E-02 -2.5400000E-02
 N    2.043300      7.5999998E-02  0.4691000    
 C   -3.817900     -0.3276000     -0.6215000    
 C   -4.997900       1.380500      0.5878000    
 C   -6.156600      3.7999999E-02  -1.033200    
 C   -2.732100     -0.3401000      0.4472000    
 C   -6.300600       1.770400       1.265700    
 C   -6.273700      -1.331100      -1.681400    
 C  -0.1204000     -0.6792000       1.209000    
 C    3.402100      0.1163000      7.4600004E-02
 C    1.308200      -1.037100      0.8592000    
 C    3.987700       1.318800     -0.2875000    
 C    4.121800      -1.068200      6.1000001E-02
 C    5.328000       1.337700     -0.6733000    
 C    3.222400       2.602300     -0.2769000    
 C    5.462200      -1.049200     -0.3247000    
 C    6.065200      0.1536000     -0.6919000    
 H   -3.546900      0.3524000      -1.440500    
 H   -3.866200      -1.342900      -1.029500    
 H   -4.707900       2.151800     -0.1366000    
 H   -4.266700       1.393100       1.399800    
 H   -6.000400      0.7996000      -1.807700    
 H   -7.130600      0.2307000     -0.5716000    
 H   -2.983200      -1.038900       1.252300    
 H   -2.549000      0.6480000      0.8725000    
 H   -7.077200       2.053400      0.5484000    
 H   -6.682300      0.9675000       1.905800    
 H   -6.135000       2.645300       1.904800    
 H   -7.214800      -1.390800      -2.240300    
 H   -6.287300      -2.135300     -0.9377000    
 H   -5.474100      -1.523400      -2.403500    
 H  -0.1735000      0.3352000       1.616600    
 H  -0.4752000      -1.376600       1.974600    
 H    1.552500      0.9658000      0.4611000    
 H    3.736100      -2.039500      0.3300000    
 H    5.814000       2.265800     -0.9625000    
 H    2.374900       2.551200     -0.9686000    
 H    2.859800       2.826400      0.7318000    
 H    3.844100       3.448100     -0.5910000    
 H    6.037800      -1.970300     -0.3394000    
 H    7.108900      0.1682000     -0.9921000    


%chk=000059393-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059393

0 1
S -1.102039 -2.274530 -1.518040
O 1.684364 -2.624765 1.463363
N -3.831789 0.531558 -0.073500
N 1.323267 -0.976180 -0.190219
C -2.989766 -0.227593 -1.028416
C -3.081369 1.618408 0.614491
C -5.131235 0.976347 -0.645507
C -2.239641 -1.353542 -0.293476
C -3.666870 1.981050 1.992215
C -6.140958 -0.175902 -0.806552
C 0.057757 -3.098779 -0.270106
C 2.234422 0.057606 0.173091
C 1.096854 -2.194907 0.424237
C 2.224208 1.252218 -0.616021
C 3.125225 -0.075337 1.271062
C 3.124187 2.286852 -0.272925
C 1.273415 1.414014 -1.791054
C 4.008814 0.978442 1.585593
C 4.015433 2.163382 0.817408
H -2.257343 0.429592 -1.559396
H -3.635092 -0.673263 -1.806676
H -3.020908 2.534803 -0.026133
H -2.040867 1.270846 0.758968
H -4.988922 1.497000 -1.626344
H -5.560590 1.724126 0.045224
H -2.951857 -2.075962 0.134783
H -1.601203 -0.948806 0.510774
H -4.698154 2.370242 1.915243
H -3.687449 1.089443 2.642427
H -3.051373 2.760696 2.478084
H -7.097748 0.203380 -1.211375
H -6.332694 -0.651421 0.170879
H -5.772933 -0.955677 -1.498244
H -0.539674 -3.594173 0.511712
H 0.590419 -3.883621 -0.835628
H 0.731911 -0.818889 -1.020268
H 3.110033 -0.995499 1.858302
H 3.124085 3.204647 -0.873240
H 1.437094 0.646436 -2.573570
H 0.210384 1.345747 -1.481552
H 1.410993 2.398354 -2.268122
H 4.692860 0.867632 2.434253
H 4.702450 2.980827 1.061054


