%chk=000039234.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039234

0 1
 S   -2.883000     -3.3100002E-02  0.9455000    
 O  -0.2006000       1.533500       2.376500    
 N   5.1800001E-02  0.3860000     -0.2135000    
 N    4.420200      0.5097000     -0.2855000    
 C  -0.2028000     -0.7417000      0.7049000    
 C   -1.315000     -0.4733000       1.722200    
 C    1.421200      0.5203000     -0.7155000    
 C  -0.9485000       1.242300     -0.6775000    
 C  -0.3716000      -2.077500     -1.7800000E-02
 C    2.214400       1.594100      2.6500000E-02
 C   -2.294200       1.156700     -0.2537000    
 C  -0.9496000      0.6104000       2.692400    
 C    3.664400       1.746500     -0.4418000    
 C  -0.6607000       2.257800      -1.620700    
 C   0.2052000      -3.225500      0.5139000    
 C   -1.100000      -2.133100      -1.200600    
 C   -3.277500       2.023900     -0.7711000    
 C   -1.546000      0.5143000       4.070500    
 C   -1.638300       3.121500      -2.125000    
 C   -2.950500       3.002100      -1.701700    
 C   5.1700000E-02  -4.444900     -0.1459000    
 C   -1.253700      -3.352500      -1.860400    
 C  -0.6778000      -4.508300      -1.333000    
 C    4.462300      0.1052000       1.120900    
 C    5.778400      0.6654000     -0.8095000    
 H   0.7174000     -0.8465000       1.300800    
 H   -1.483400      -1.385100       2.308500    
 H    1.447800      0.6744000      -1.800800    
 H    1.935800     -0.4405000     -0.5852000    
 H    2.169100       1.418000       1.107100    
 H    1.726400       2.567100     -0.1093000    
 H    4.134300       2.572100      0.1089000    
 H    3.649300       2.037800      -1.499900    
 H   0.3424000       2.418100      -2.005800    
 H   0.7737000      -3.189800       1.439000    
 H   -1.558400      -1.260200      -1.649400    
 H   -4.313900       1.948600     -0.4467000    
 H   -2.635800      0.5637000       4.015900    
 H   -1.233300     -0.4205000       4.542600    
 H   -1.189100       1.348600       4.681200    
 H   -1.366200       3.883500      -2.849600    
 H   -3.715600       3.666800      -2.090000    
 H   0.4996000      -5.344900      0.2650000    
 H   -1.820500      -3.402100      -2.785600    
 H  -0.7972000      -5.457600      -1.846900    
 H    3.485100     -0.2300000       1.481400    
 H    4.830100      0.9047000       1.774500    
 H    5.124500     -0.7600000       1.247700    
 H    6.328600     -0.2797000     -0.7412000    
 H    6.343900       1.434600     -0.2709000    
 H    5.752800      0.9354000      -1.871200    


%chk=000039234-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039234

0 1
S -2.694200 -0.409874 0.941804
O 0.590131 1.029363 2.658047
N -0.003853 0.472438 -0.492746
N 4.052337 0.238561 0.097194
C 0.076107 -0.668782 0.449247
C -0.932301 -0.564753 1.616287
C 1.291001 0.761564 -1.152563
C -1.092338 1.345183 -0.634372
C -0.006709 -2.035062 -0.244951
C 2.161655 1.820854 -0.419549
C -2.377306 1.108254 -0.040073
C -0.570923 0.537315 2.639637
C 3.667552 1.509845 -0.568526
C -0.972712 2.537969 -1.420404
C 0.703880 -3.132462 0.302996
C -0.793295 -2.234646 -1.404273
C -3.454468 2.000672 -0.223622
C -1.633794 0.971722 3.629978
C -2.059655 3.407821 -1.623343
C -3.316158 3.151778 -1.028185
C 0.615131 -4.414131 -0.284100
C -0.880181 -3.514546 -1.996608
C -0.181525 -4.609218 -1.436596
C 4.072766 0.346977 1.573946
C 5.324795 -0.304804 -0.423425
H 1.075203 -0.601602 0.928203
H -0.945871 -1.530158 2.158108
H 1.117689 1.047198 -2.207157
H 1.862198 -0.183945 -1.161793
H 1.879403 1.834650 0.648698
H 1.968034 2.840116 -0.805466
H 4.265189 2.373180 -0.178210
H 3.915233 1.411997 -1.644560
H -0.013285 2.784940 -1.879868
H 1.340872 -2.979440 1.184628
H -1.328431 -1.385000 -1.840454
H -4.410676 1.780264 0.265338
H -2.311170 1.696342 3.139280
H -2.263491 0.124547 3.952319
H -1.157103 1.460346 4.494390
H -1.916385 4.300253 -2.243264
H -4.161488 3.830914 -1.175317
H 1.171735 -5.254091 0.147054
H -1.493869 -3.658549 -2.893136
H -0.249925 -5.601248 -1.897312
H 3.086484 0.656694 1.958303
H 4.835856 1.080265 1.940595
H 4.311946 -0.640019 2.009729
H 5.527930 -1.285411 0.043744
H 6.205481 0.357836 -0.224244
H 5.249705 -0.455817 -1.515207


