%chk=000123726.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123726

0 1
 S  -0.1859000       1.396100      -1.007200    
 S   -3.501200       2.032000       1.237300    
 O   -3.623700      -2.074500      0.6213000    
 O   -4.367300     -0.5925000     -0.9233000    
 N    3.202500     -0.5747000      5.4000001E-03
 N    5.329100      -1.316400      0.5459000    
 N    5.086500      0.9106000      0.1259000    
 C   -2.179000     -0.2312000      0.1115000    
 C   -1.714000      0.4292000      -1.195900    
 C   -2.272300      0.6911000       1.344900    
 C   0.9288000      3.9799999E-02 -0.5799000    
 C   -3.499600     -0.9547000     -0.1401000    
 C    2.340900      0.5556000     -0.3524000    
 C    4.455100     -0.3106000      0.2065000    
 H   -1.463200      -1.028900      0.3484000    
 H   -1.566700     -0.3250000      -1.977600    
 H   -2.479800       1.115200      -1.574700    
 H   -2.561400      8.6599998E-02   2.212800    
 H   -1.302200       1.131400       1.592600    
 H   0.9249000     -0.7038000      -1.384100    
 H   0.5929000     -0.4509000      0.3379000    
 H    2.341100       1.294000      0.4594000    
 H    2.710400       1.033000      -1.269000    
 H   -3.295300       2.525400       2.467200    
 H   -4.475000      -2.534000      0.4585000    
 H    5.012000      -2.274700      0.6440000    
 H    6.313100      -1.131900      0.7076000    
 H    6.081100      0.9973000      0.3059000    
 H    4.590200       1.762000     -0.1115000    


%chk=000123726-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123726

0 1
S -0.026083 1.588980 -0.353662
S -4.182355 1.994397 0.993818
O -4.199854 -1.429612 0.901277
O -3.444732 -1.479117 -1.288392
N 3.474775 -0.600053 -0.262659
N 5.565662 -1.541201 0.247432
N 5.463535 0.784293 -0.062166
C -2.250309 -0.069159 0.374794
C -1.615487 0.685536 -0.815294
C -2.744177 0.866080 1.500046
C 1.150543 0.103598 -0.232724
C -3.327896 -1.030424 -0.128543
C 2.603654 0.583251 -0.388426
C 4.760134 -0.430860 -0.049251
H -1.471672 -0.723543 0.828179
H -1.397899 -0.004326 -1.645945
H -2.305498 1.467324 -1.176278
H -3.057784 0.297274 2.386730
H -1.927693 1.555998 1.769774
H 0.899140 -0.600786 -1.043700
H 1.026044 -0.399947 0.740117
H 2.816793 1.365815 0.380490
H 2.706005 1.069776 -1.384393
H -5.160678 1.017795 1.088866
H -4.847803 -2.092012 0.535404
H 5.062527 -2.424534 0.316257
H 6.523636 -1.570256 -0.099126
H 6.337173 0.879851 0.450664
H 4.992299 1.631361 -0.365989


