%chk=000059792.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059792

0 1
 I    1.874800       3.675700      0.6615000    
 S   -4.055400     -0.1843000     -0.6807000    
 O   -5.296800     -0.1623000      6.9100000E-02
 O   -4.048400      0.1557000      -2.090700    
 N   -3.298300      -1.692300     -0.4739000    
 N    8.272100      0.4510000     -0.3449000    
 C    1.354200      -2.603300     -4.1200001E-02
 C   1.8000000E-03  -2.581100      0.6762000    
 C    2.379800      -1.643900      0.5715000    
 C   -1.027300      -3.532400      5.5700000E-02
 C    3.725300      -1.646000     -0.1596000    
 C   -2.355100      -3.569800      0.8198000    
 C    4.716500     -0.6884000      0.5076000    
 C   -3.027400      -2.201900      0.8879000    
 C    6.059300     -0.5950000     -0.2243000    
 C    7.018000      0.4184000      0.4002000    
 C   -2.916700      0.9065000      0.1180000    
 C   -1.656000       1.196300     -0.4145000    
 C  -0.8038000       2.082100      0.2870000    
 C   -3.344200       1.469200       1.315800    
 C   -1.216100      0.6331000      -1.623500    
 C   -1.243900       2.645600       1.495700    
 C   -2.506100       2.340200       2.005500    
 C   0.4633000       2.378500     -0.2412000    
 C   4.6100002E-02  0.9388000      -2.133400    
 C   0.8841000       1.809700      -1.443600    
 H    1.204900      -2.342400      -1.096200    
 H    1.757900      -3.623000     -2.0300001E-02
 H   0.1491000      -2.843600       1.730900    
 H  -0.3731000      -1.553100      0.6517000    
 H    2.538300      -1.915800       1.622500    
 H    1.967400     -0.6276000      0.5670000    
 H  -0.6104000      -4.547900      6.4900003E-02
 H   -1.175100      -3.287000      -1.000700    
 H    4.142300      -2.659900     -0.1667000    
 H    3.572600      -1.349800      -1.204300    
 H   -2.184800      -3.939300       1.837900    
 H   -3.023600      -4.285100      0.3257000    
 H    4.891800      -1.007600       1.542400    
 H    4.269900      0.3127000      0.5565000    
 H   -3.979200      -2.298600       1.421600    
 H   -2.406500      -1.497900       1.446700    
 H    6.526000      -1.588400     -0.2345000    
 H    5.875300     -0.3219000      -1.271500    
 H   -2.694200      -2.022500      -1.233000    
 H    6.568100       1.416700      0.3897000    
 H    7.220300      0.1532000       1.443500    
 H   -4.316000       1.254200       1.748600    
 H   -1.784100     -8.3099999E-02  -2.202300    
 H  -0.6395000       3.330500       2.081200    
 H   -2.834100       2.781800       2.942100    
 H    8.712300     -0.4678000     -0.3162000    
 H    8.919300       1.092100      0.1120000    
 H   0.3794000      0.4881000      -3.063900    
 H    1.863000       2.024300      -1.865500    


%chk=000059792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059792

0 1
I 1.916992 3.708705 1.013384
S -4.094128 -0.217122 -0.806952
O -5.454605 -0.249914 0.076187
O -4.105697 0.043815 -2.411505
N -3.313132 -1.871246 -0.588518
N 8.328401 0.406032 -0.463500
C 1.386591 -2.765338 0.080972
C -0.002775 -2.694298 0.754170
C 2.372747 -1.706486 0.623778
C -1.014004 -3.712517 0.177010
C 3.747455 -1.722699 -0.081020
C -2.417309 -3.674564 0.837803
C 4.718896 -0.648997 0.459616
C -3.110586 -2.290716 0.821670
C 6.081603 -0.639374 -0.267170
C 7.049161 0.431379 0.276521
C -2.925851 1.034213 0.077733
C -1.636088 1.351694 -0.460516
C -0.782536 2.202902 0.367800
C -3.416375 1.523988 1.279691
C -1.163483 0.884158 -1.731509
C -1.295630 2.702579 1.610070
C -2.580940 2.387659 2.051444
C 0.537547 2.494328 -0.127767
C 0.121922 1.208272 -2.162376
C 0.988531 2.007759 -1.355611
H 1.268404 -2.625478 -1.014427
H 1.815561 -3.779543 0.220205
H 0.106404 -2.863102 1.845792
H -0.391873 -1.661081 0.638985
H 2.516293 -1.861989 1.713635
H 1.921000 -0.698207 0.511108
H -0.605187 -4.735804 0.295704
H -1.103428 -3.560599 -0.919737
H 4.209139 -2.726152 0.031552
H 3.602069 -1.568754 -1.170864
H -2.329147 -3.977369 1.900365
H -3.081549 -4.406678 0.342058
H 4.877459 -0.814079 1.546214
H 4.245593 0.351557 0.365352
H -4.106389 -2.366656 1.289606
H -2.508029 -1.561595 1.407286
H 6.554475 -1.640748 -0.172192
H 5.939771 -0.459580 -1.350544
H -2.454359 -1.876678 -1.166748
H 6.593082 1.431005 0.134823
H 7.159994 0.283922 1.380440
H -4.420946 1.241536 1.612748
H -1.843628 0.327211 -2.384763
H -0.655806 3.349893 2.218045
H -2.952932 2.791756 2.997844
H 8.817873 -0.493331 -0.404622
H 8.953473 1.191750 -0.258396
H 0.478906 0.862130 -3.137716
H 1.994168 2.243850 -1.713356


