%chk=000030501.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030501

0 1
 S   -4.533900     -0.3464000      0.2138000    
 O    5.344500      -1.500700      0.6265000    
 O   -5.255800      -1.104300     -0.7983000    
 O   -4.838500     -0.5507000       1.623500    
 O    4.510200       3.463900      0.1629000    
 N    1.813700      -2.393100      0.1486000    
 C    1.388100      -1.235300     -0.6642000    
 C    2.229600      2.0900000E-02 -0.4344000    
 C    3.936100      -1.374600      0.8116000    
 C    3.454800     -5.2600000E-02  0.2595000    
 C    3.260000      -2.560600      0.1248000    
 C  -0.1038000      -1.011600     -0.4429000    
 C    1.828000       1.256400     -0.9741000    
 C   -2.825600     -0.6026000     -3.8800001E-02
 C    4.201000       1.118400      0.4722000    
 C   -4.775800       1.383300     -0.1228000    
 C  -0.9892000      -1.165600      -1.504400    
 C  -0.5676000     -0.6548000      0.8190000    
 C   -2.353900     -0.9604000      -1.301900    
 C   -1.932400     -0.4496000       1.021600    
 C    3.770800       2.340000     -4.2599998E-02
 C    2.590400       2.407100     -0.7742000    
 C   -3.904100       2.226000      0.7965000    
 C   -6.246500       1.747000      1.8200001E-02
 H    1.550200      -1.507800      -1.717200    
 H    3.733500      -1.397500       1.889200    
 H    3.622200      -2.688600     -0.9041000    
 H    3.533500      -3.482200      0.6524000    
 H    1.368100      -3.236700     -0.2126000    
 H   0.9129000       1.336900      -1.555300    
 H    5.127700       1.071900       1.040100    
 H   -4.474200       1.547200      -1.163800    
 H  -0.6356000      -1.441900      -2.493800    
 H   0.1148000     -0.5305000       1.655500    
 H   -3.030200      -1.077600      -2.143900    
 H   -2.276400     -0.1699000       2.013400    
 H    2.254700       3.352800      -1.190800    
 H    5.542900      -1.343000     -0.3127000    
 H   -4.128700       3.290300      0.6626000    
 H   -4.063600       1.986700       1.852900    
 H   -2.840500       2.105900      0.5739000    
 H   -6.411700       2.801300     -0.2275000    
 H   -6.605800       1.577600       1.039000    
 H   -6.868100       1.146900     -0.6546000    
 H    5.296100       3.233600      0.6876000    


%chk=000030501-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030501

0 1
S -4.601074 -0.309528 0.190994
O 5.501784 -1.464308 0.857378
O -5.397048 -1.034723 -1.048159
O -4.904982 -0.689148 1.759021
O 4.591155 3.507212 -0.120318
N 1.920439 -2.381754 0.195781
C 1.464753 -1.319803 -0.725135
C 2.315568 -0.052282 -0.518333
C 4.028837 -1.369586 0.878731
C 3.524278 -0.080640 0.229072
C 3.375131 -2.597998 0.214577
C -0.029482 -1.064520 -0.506488
C 1.915110 1.168633 -1.118944
C -2.747160 -0.579082 -0.097538
C 4.295478 1.099957 0.370114
C -4.907437 1.656899 -0.010888
C -0.926163 -1.058183 -1.602574
C -0.524705 -0.845161 0.805200
C -2.306330 -0.816497 -1.408125
C -1.896978 -0.603258 1.022288
C 3.870840 2.304644 -0.228783
C 2.674844 2.343601 -0.982924
C -4.249768 2.343812 1.181685
C -6.422450 1.815812 -0.127827
H 1.594294 -1.622406 -1.797667
H 3.790230 -1.376776 1.956218
H 3.815546 -2.736026 -0.806666
H 3.606256 -3.500721 0.804366
H 1.363574 -3.239423 0.120152
H 0.983262 1.202102 -1.694965
H 5.226620 1.049889 0.949093
H -4.389181 1.845115 -0.967975
H -0.548976 -1.258869 -2.612820
H 0.174763 -0.885612 1.645844
H -3.023670 -0.850538 -2.234967
H -2.312993 -0.467798 2.026427
H 2.363284 3.286568 -1.440982
H 5.804491 -1.420127 -0.086748
H -4.461368 3.428850 1.136837
H -4.663273 1.950809 2.127682
H -3.153625 2.212055 1.190430
H -6.659605 2.870487 -0.362792
H -6.921029 1.551908 0.821510
H -6.829232 1.177159 -0.930682
H 5.397893 3.384754 0.439299


