%chk=000003514.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003514

0 1
 S   -2.072900       2.021100      0.8477000    
 O    1.549000      0.6502000      -2.076700    
 O   -1.603800      -1.712100      0.6103000    
 O    4.695300      -1.147900       2.035600    
 O    5.958900      -1.889800      0.3052000    
 O   -4.907300     -0.3164000      0.6991000    
 O   -6.060200      -2.270200      0.7295000    
 O   -3.076400       4.212100       1.198900    
 N   0.2528000      3.3700000E-02 -0.2505000    
 N    6.390800      0.7259000     -0.4491000    
 N   -3.126100      -1.116700      -1.036000    
 N   -2.667800       3.514900      0.2649000    
 C    3.962900      0.4891000     -0.6608000    
 C   -1.030500      8.9100003E-02 -0.9116000    
 C    2.636300      0.1749000      3.3799998E-02
 C    5.164100      0.4143000      0.2884000    
 C    1.445300      0.3224000     -0.8979000    
 C   -1.653300       1.485800     -0.8433000    
 C   -1.929900      -1.005800     -0.3416000    
 C    5.337500     -0.9856000      0.8494000    
 C   -4.132700      -2.097100     -0.7020000    
 C   -5.132100      -1.591900      0.3065000    
 H    3.909200       1.493100      -1.102500    
 H    4.098000     -0.2116000      -1.496200    
 H  -0.8658000     -0.1564000      -1.969200    
 H    2.490700      0.8492000      0.8860000    
 H    2.631500     -0.8551000      0.4072000    
 H    5.059900       1.127500       1.113600    
 H   0.2733000     -0.2075000      0.7366000    
 H  -0.9487000       2.209200      -1.272900    
 H   -2.562900       1.516300      -1.454300    
 H    7.178900      0.7572000      0.1969000    
 H    6.318800       1.659300     -0.8523000    
 H   -3.309300     -0.5046000      -1.825000    
 H   -3.647800      -2.989500     -0.2956000    
 H   -4.663600      -2.343700      -1.625700    
 H    4.799700      -2.058200       2.386200    
 H   -5.570400     -1.1200000E-02   1.354400    


%chk=000003514-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003514

0 1
S -1.848931 2.229327 1.346456
O 1.483763 1.478942 -1.487143
O -1.468075 -1.596807 0.840771
O 4.838791 -1.383447 1.637975
O 6.911450 -1.591402 0.627383
O -5.558028 -0.409144 -1.466060
O -6.531361 -2.168611 -0.290919
O -4.622589 2.399904 1.785709
N 0.384310 0.121787 0.031016
N 6.428000 0.453364 -1.110834
N -3.158790 -0.730937 -0.482513
N -3.812034 2.172983 0.890187
C 3.996861 0.166482 -0.712973
C -0.919617 0.327906 -0.597583
C 2.824877 0.382457 0.269949
C 5.417045 0.253974 -0.077219
C 1.528948 0.703416 -0.475682
C -1.438661 1.780086 -0.424941
C -1.869920 -0.746826 -0.016401
C 5.820289 -0.986969 0.720966
C -4.142627 -1.691696 0.022192
C -5.528309 -1.483758 -0.562923
H 3.940646 0.959813 -1.481228
H 3.897048 -0.795115 -1.248166
H -0.814665 0.175172 -1.693935
H 3.055006 1.256440 0.914836
H 2.701961 -0.482660 0.942563
H 5.379752 1.077893 0.684671
H 0.404291 -0.581264 0.780250
H -0.660610 2.469209 -0.788615
H -2.368917 1.954580 -0.999008
H 7.342628 0.035248 -0.933678
H 6.423608 1.356555 -1.581424
H -3.494737 -0.015683 -1.131765
H -4.220630 -1.633632 1.125236
H -3.827839 -2.730406 -0.195668
H 5.176092 -2.169663 2.148028
H -6.477630 -0.283517 -1.822509


