%chk=000128655.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128655

0 1
 S   0.4071000      -1.199100      0.5268000    
 S  -0.6741000     -0.8049000      -1.175900    
 O    4.700800       1.001800      0.8826000    
 N    3.159100      1.6000000E-03 -0.5463000    
 N   -2.897300      -1.191900      0.2640000    
 C    2.047700      0.8891000     -0.2905000    
 C    1.164000      0.4212000      0.8578000    
 C    4.393100      0.1374000      6.6000000E-02
 C    5.361500     -0.9333000     -0.3600000    
 C   -2.244300     -0.2908000     -0.5040000    
 C   -2.724200      0.9779000     -0.7879000    
 C   -3.952200       1.345200     -0.2490000    
 C   -4.653400      0.4454000      0.5461000    
 C   -4.087800     -0.7994000      0.7703000    
 H    2.452600       1.875700     -3.4899998E-02
 H    1.499700       1.015800      -1.228300    
 H    1.756700      0.3245000       1.773900    
 H   0.3745000       1.152900       1.058500    
 H    3.009700     -0.7647000      -1.196300    
 H    6.368800     -0.6748000     -2.1600001E-02
 H    5.066700      -1.888400      8.3200000E-02
 H    5.371400      -1.024500      -1.450000    
 H   -2.174100       1.678100      -1.408200    
 H   -4.362100       2.330800     -0.4479000    
 H   -5.612300      0.7102000      0.9766000    
 H   -4.594300      -1.537400       1.383500    


%chk=000128655-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128655

0 1
S 0.355310 -1.472295 -0.607217
S -0.717510 0.173956 -1.742318
O 4.833077 0.664035 1.339222
N 3.265886 -0.067354 -0.221023
N -2.262605 0.202641 0.558810
C 2.114919 0.544282 0.452730
C 1.055171 -0.483855 0.864905
C 4.558307 0.028635 0.274557
C 5.631808 -0.676579 -0.551276
C -2.288622 0.358120 -0.787134
C -3.452827 0.715383 -1.513703
C -4.643050 0.937780 -0.787618
C -4.636855 0.771708 0.617978
C -3.428153 0.393431 1.243605
H 2.510896 1.053648 1.350491
H 1.647070 1.308664 -0.198604
H 1.483138 -1.269338 1.514678
H 0.185408 -0.018709 1.353392
H 3.079052 -0.611789 -1.066060
H 6.363939 0.071605 -0.901700
H 6.175325 -1.385326 0.096548
H 5.232182 -1.220628 -1.424673
H -3.426718 0.798496 -2.604050
H -5.561599 1.216840 -1.314166
H -5.541396 0.923769 1.213929
H -3.374853 0.241281 2.327196


