%chk=000164865.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164865

0 1
 S  -0.7792000      -1.635900      -2.057100    
 S   -2.281300     -0.2253000      -2.109800    
 O   -1.339900      -2.676500       1.243800    
 O  -0.5520000       2.295900     -0.3493000    
 O   -3.080100       2.165300       1.006100    
 O    1.862800       2.628300      0.1384000    
 N   0.2200000      8.2999997E-02 -0.1817000    
 N   -2.231000     -0.6022000      0.6071000    
 C  -0.1253000      -1.338500     -0.3694000    
 C   -2.145800      0.4809000     -0.4072000    
 C    1.171000      -2.140100     -0.1090000    
 C   -1.255800      -1.622900      0.6166000    
 C  -0.7369000       1.086000     -0.2735000    
 C    1.602400      0.2173000     -8.8000000E-03
 C    2.194000      -1.046900      1.8400000E-02
 C   -3.213000       1.573600     -0.2706000    
 C   -3.312600     -0.6105000       1.583900    
 C    2.360000       1.368300      0.1309000    
 C    3.562300      -1.191300      0.1826000    
 C    3.741500       1.230500      0.2921000    
 C    4.338700     -3.9299998E-02  0.3164000    
 H    1.436200      -2.821900     -0.9236000    
 H    1.135100      -2.704400      0.8288000    
 H   -4.229900       1.178400     -0.3698000    
 H   -3.082300       2.364400      -1.019000    
 H   -3.318400      -1.555200       2.135800    
 H   -4.276800     -0.5122000       1.080600    
 H   -3.157900      0.1872000       2.312900    
 H    4.023300      -2.172800      0.2111000    
 H    4.369400       2.111300      0.4054000    
 H    5.414100     -0.1250000      0.4460000    
 H   -3.763100       2.853700       1.077400    
 H    1.119100       2.663600     -0.4820000    


%chk=000164865-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000164865

0 1
S -0.710746 -1.728548 -1.971947
S -2.235989 -0.025793 -2.184186
O -1.429120 -2.636499 1.432682
O -0.575066 2.360731 -0.006104
O -3.164223 2.281273 1.152509
O 2.006683 2.762944 -0.171868
N 0.230350 0.154074 -0.069111
N -2.373075 -0.638392 0.623119
C -0.143250 -1.268602 -0.154399
C -2.169214 0.500386 -0.246867
C 1.146533 -2.057137 0.159107
C -1.357421 -1.595000 0.726479
C -0.763668 1.091292 -0.095743
C 1.666623 0.294137 -0.005527
C 2.237589 -0.998890 0.103767
C -3.234989 1.614867 -0.140911
C -3.683863 -0.902202 1.254495
C 2.468764 1.469292 -0.055098
C 3.627702 -1.168518 0.161997
C 3.876448 1.277745 0.012828
C 4.443253 -0.007224 0.115230
H 1.314801 -2.882451 -0.553555
H 1.040719 -2.515724 1.160454
H -4.245315 1.188362 -0.219184
H -3.073834 2.323111 -0.976386
H -3.555641 -1.776921 1.910301
H -4.446583 -1.139652 0.490402
H -3.996428 -0.029712 1.849678
H 4.071612 -2.165194 0.242804
H 4.503269 2.173390 -0.026087
H 5.532938 -0.106368 0.158055
H -2.325772 2.819093 1.152951
H 0.985511 2.798927 -0.126386


