%chk=000002655.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002655

0 1
 S    2.818000       1.994900      -1.699600    
 S   -4.998800      -2.195100     -0.5046000    
 O    2.219100      -2.381800     -0.1593000    
 O    4.370900      -1.908900       1.397800    
 O   -1.110300       1.718900      -1.216200    
 O    6.336000      -1.246100      0.4339000    
 O   -3.665100      0.8331000       2.211400    
 N    3.041100     -0.1755000     -0.1624000    
 N  -0.1531000     -0.1688000     -0.2003000    
 N   -2.454300       1.141900       1.576100    
 N   -4.489900      0.3254000     -0.7706000    
 N   -6.500600     -0.4065000      -1.776600    
 C    2.116600      0.9153000     -0.4239000    
 C    1.128300     -0.1723000     -0.9019000    
 C    2.163600      -1.186200     -0.3264000    
 C    4.344200      1.7500000E-02  0.1402000    
 C    4.310700       2.402100     -0.7207000    
 C    4.952000       1.197900     -7.2400004E-02
 C   -1.133800      0.7803000     -0.4364000    
 C    5.147400      -1.093200      0.6536000    
 C   -2.365100      0.5794000      0.4086000    
 C   -3.480300     -0.2526000     -5.4499999E-02
 C   -3.557000      -1.589000      0.1988000    
 C   -5.359900     -0.6145000      -1.067000    
 C   -3.679900       1.483900       3.472400    
 H    1.819800       1.436900      0.4949000    
 H    1.001400     -0.2799000      -1.985800    
 H  -0.3502000     -0.8869000      0.4932000    
 H    4.053300       3.139900      4.5899998E-02
 H    5.028300       2.865200      -1.405300    
 H    6.000200       1.323900      0.1914000    
 H    4.875100      -2.668500       1.759900    
 H   -2.874300      -2.230000      0.7387000    
 H   -6.751900      0.5119000      -2.127100    
 H   -7.146500      -1.161200      -1.983600    
 H   -3.614800       2.568600       3.341700    
 H   -2.852000       1.128600       4.093900    
 H   -4.622000       1.246800       3.973600    


%chk=000002655-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002655

0 1
S 2.996117 0.805746 -2.362838
S -5.686433 -1.008693 -2.405079
O 2.351537 -2.058106 1.282803
O 4.376477 -0.385768 2.733170
O -1.188921 -0.921530 -1.829489
O 6.493292 -0.138290 1.796486
O -3.482718 0.546527 2.117730
N 3.132536 0.072030 0.339198
N -0.111332 -0.160953 0.083514
N -2.335533 0.274175 1.315261
N -5.042375 0.204391 -0.090852
N -7.377978 0.332214 -0.593499
C 2.224729 0.725017 -0.633788
C 1.203968 -0.451891 -0.419307
C 2.261391 -1.041062 0.583712
C 4.506927 0.351446 0.463627
C 4.611148 1.623141 -1.769393
C 5.178969 1.075274 -0.487779
C -1.251482 -0.445149 -0.654717
C 5.246046 -0.084025 1.687873
C -2.562219 -0.136952 0.068478
C -3.842448 -0.316664 -0.632482
C -3.981875 -0.985408 -1.851426
C -6.083148 -0.048145 -0.855517
C -3.013149 0.946498 3.463168
H 1.890887 1.728049 -0.326913
H 1.100141 -1.080373 -1.322676
H -0.269153 0.182939 1.038055
H 4.436801 2.712673 -1.687062
H 5.323846 1.466501 -2.598624
H 6.236302 1.282523 -0.282461
H 4.894357 -0.726835 3.510982
H -3.193934 -1.435850 -2.447888
H -7.561636 0.844622 0.266098
H -8.140422 0.117406 -1.227956
H -2.413386 1.871534 3.404759
H -2.421863 0.136413 3.924307
H -3.939266 1.121974 4.031930


