%chk=000021487.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021487

0 1
 S   -4.291600      0.4301000     -2.8700000E-02
 O   -1.711000      0.2075000      0.6664000    
 O  -0.1916000      -3.561600      0.7890000    
 O   -1.902200      -2.209600       1.043900    
 O    4.367500      0.2926000     -0.9011000    
 O    4.097400      -1.855900     -0.5398000    
 O   -2.231600     -0.1041000      -1.576100    
 N  -0.6978000      -2.415000      0.7630000    
 N    3.647900     -0.6852000     -0.5840000    
 C  -0.1197000       2.446100     -4.4700000E-02
 C   0.4292000       1.030600      7.0000002E-03
 C   0.5883000       3.410500      0.9288000    
 C  -4.8000000E-02   2.999800      -1.473000    
 C  -0.3996000     -1.6899999E-02  0.3613000    
 C    1.761000      0.8330000     -0.3072000    
 C   0.5334000       2.944000       2.378500    
 C   0.1221000      -1.309800      0.4033000    
 C    2.282600     -0.4598000     -0.2651000    
 C    1.463200      -1.531400      9.0099998E-02
 C   -2.592300      0.1377000     -0.4294000    
 C   -5.107300     -0.5825000      -1.282300    
 H   -1.179400       2.455100      0.2350000    
 H   0.1106000       4.396300      0.8636000    
 H    1.637200       3.557500      0.6446000    
 H  -0.5550000       2.332700      -2.179100    
 H  -0.5395000       3.977500      -1.529400    
 H   0.9831000       3.131100      -1.818000    
 H    2.387200       1.677200     -0.5808000    
 H   0.9616000       3.709900       3.033400    
 H  -0.4997000       2.768900       2.695300    
 H    1.104300       2.023400       2.531800    
 H    1.872900      -2.538400      0.1219000    
 H   -4.772700      -1.620800      -1.209300    
 H   -4.889100     -0.2012000      -2.283400    
 H   -6.188800     -0.5516000      -1.126000    


%chk=000021487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021487

0 1
S -4.295351 -0.066842 0.365256
O -1.691801 -0.005952 0.619440
O 0.099043 -3.654939 1.172948
O -1.745955 -2.702700 0.227877
O 4.553270 0.461780 -0.625721
O 4.379833 -1.792162 -0.313924
O -2.394727 -0.122470 -1.632577
N -0.513537 -2.674847 0.601585
N 3.876371 -0.607733 -0.376877
C -0.180837 2.385056 -0.083513
C 0.451243 0.996319 0.002657
C 0.537693 3.420004 0.829600
C -0.205452 2.859075 -1.564017
C -0.326971 -0.159868 0.274703
C 1.836394 0.820111 -0.219108
C 0.481576 3.074069 2.332666
C 0.277896 -1.445489 0.333922
C 2.413434 -0.461478 -0.146135
C 1.658984 -1.611210 0.139859
C -2.664924 -0.085854 -0.424188
C -5.326120 -0.171471 -1.209559
H -1.225677 2.305795 0.269811
H 0.055946 4.402432 0.657788
H 1.592045 3.537701 0.507436
H -0.745517 2.141053 -2.205718
H -0.709765 3.839555 -1.637394
H 0.819526 2.975179 -1.963050
H 2.482451 1.673135 -0.444702
H 0.967101 3.861353 2.936616
H -0.563972 2.977964 2.679637
H 0.996524 2.120594 2.551630
H 2.124240 -2.597369 0.208147
H -5.122336 -1.125300 -1.715050
H -5.083466 0.672540 -1.870070
H -6.374562 -0.120332 -0.880475


