%chk=000076442.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076442

0 1
 S   -4.387100     -0.6003000     -0.4090000    
 O    2.220200       2.285100      3.7500001E-02
 O    3.681100     -0.5466000      -1.037500    
 O    3.713900     -0.5430000       1.249200    
 N  -0.5595000     -0.5478000     -0.1158000    
 N   -1.742100      -1.186900     -0.1917000    
 N   -2.234600       1.018500     -0.2825000    
 N  -6.8999999E-03   1.767300     -0.1260000    
 C   0.7453000     -0.9806000     -3.4000000E-03
 C  -0.8613000      0.7980000     -0.1707000    
 C    1.720300     -4.2500000E-02  5.5300001E-02
 C   0.9359000      -2.474200      3.5100002E-02
 C   -2.706300     -0.2129000     -0.2895000    
 C    1.335800       1.433100     -1.2200000E-02
 C    3.142200     -0.4033000      0.1884000    
 C   -4.997200      0.2362000       1.072800    
 H   -1.860700      -2.190900     -0.1753000    
 H   0.5464000      -2.932500     -0.8803000    
 H   0.4083000      -2.904200      0.8931000    
 H    1.988100      -2.760600      0.1217000    
 H   -4.482700     -0.1402000       1.961100    
 H   -6.068100      4.5699999E-02   1.181300    
 H   -4.841300       1.315600      0.9952000    
 H    4.630900     -0.7886000     -0.9975000    


%chk=000076442-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076442

0 1
S -4.416384 -1.070941 0.378813
O 2.252691 2.165757 0.665182
O 3.753781 0.496787 -1.134133
O 3.792768 -1.489420 0.058167
N -0.488607 -0.714557 0.372568
N -1.674985 -1.483391 0.310297
N -2.279638 0.729983 0.284473
N 0.002564 1.647177 0.269034
C 0.809281 -1.141248 0.090730
C -0.869831 0.671071 0.312598
C 1.755964 -0.121448 0.008699
C 1.010010 -2.621810 -0.100181
C -2.710481 -0.530291 0.328520
C 1.393390 1.307753 0.332896
C 3.169033 -0.457931 -0.310098
C -5.229895 0.627256 0.518898
H -1.700947 -2.401837 0.760886
H 0.297319 -3.015051 -0.849795
H 0.853679 -3.168685 0.850392
H 2.038766 -2.832568 -0.418607
H -4.881549 1.121634 1.435390
H -6.310862 0.426422 0.555999
H -4.961185 1.225604 -0.361232
H 4.715719 0.274133 -1.260198


