%chk=000044110.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044110

0 1
 S    2.870400       2.295700     -0.1355000    
 S    2.798400      -1.777100     -0.1798000    
 S   -3.332500       1.462700      0.4053000    
 O    3.072700       3.119500      -1.312200    
 O    3.382400       2.720700       1.153600    
 O    3.645600      -2.669600      0.6001000    
 O    2.931500      -1.749600      -1.631100    
 O   -3.857500       1.067600     -0.8942000    
 O   -3.586700      0.6290000       1.572000    
 O   -3.501900      -2.174200     -0.7987000    
 O   -2.126800      -1.288500      -2.377100    
 N    3.371400      0.7027000     -0.4760000    
 N    2.953600     -0.1946000      0.4450000    
 N   -3.847500       3.055600      0.7469000    
 C    1.124600       2.062900      1.7200001E-02
 C    1.141900      -2.147400      0.2293000    
 C   -1.608600       1.695500      0.2552000    
 C   0.5885000       1.762700       1.257500    
 C   0.3262000       2.184000      -1.107000    
 C  -0.7888000       1.577400       1.377400    
 C   -1.051100       1.998800     -0.9870000    
 C   0.1167000      -1.841800     -0.6660000    
 C   0.8436000      -2.749100       1.452000    
 C   -1.206400      -2.138000     -0.3386000    
 C  -0.4795000      -3.045400       1.779200    
 C   -1.504500      -2.739900      0.8840000    
 C   -2.275600      -1.819500      -1.271600    
 H    3.340500      0.3989000      -1.457300    
 H    1.210200       1.663600       2.142000    
 H   0.7405000       2.410700      -2.084400    
 H    3.422200     -9.7099997E-02   1.355000    
 H   -1.201800       1.345500       2.355000    
 H   -1.671100       2.098100      -1.873500    
 H   0.3475000      -1.365900      -1.615800    
 H    1.623600      -2.989000       2.168800    
 H  -0.7116000      -3.511600       2.732300    
 H   -2.520400      -2.986000       1.179800    
 H   -4.364100       3.557200      1.4200000E-02
 H   -4.176900       3.256300       1.699100    
 H   -4.215800      -1.952800      -1.434100    


%chk=000044110-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044110

0 1
S 2.332458 2.527219 -1.624551
S 2.942097 -3.536361 1.607570
S -3.635410 2.135190 0.900131
O 2.127548 3.364926 -3.015126
O 3.021807 3.620277 -0.229890
O 3.683203 -4.809150 0.889606
O 3.333685 -1.923571 0.669129
O -4.345309 0.781242 0.288954
O -3.588423 2.377464 2.500387
O -3.087504 -1.498842 0.132512
O -1.584189 -0.424271 1.531021
N 5.267235 0.366047 0.592507
N 5.142120 1.448474 0.246286
N -4.587844 3.405117 0.005452
C 0.614604 2.554802 -0.838814
C 1.204008 -3.563410 0.872708
C -1.911201 2.395947 0.182802
C 0.465302 2.366801 0.547590
C -0.472400 2.702502 -1.721058
C -0.839245 2.285811 1.082086
C -1.782437 2.614793 -1.198635
C 0.316635 -2.510840 1.135938
C 0.861429 -4.673206 0.079882
C -0.978870 -2.567854 0.563400
C -0.438309 -4.723799 -0.474602
C -1.354793 -3.675258 -0.238388
C -1.896013 -1.409979 0.801750
H 4.262762 -1.655809 0.926507
H 1.339361 2.299565 1.199705
H -0.292208 2.897857 -2.783895
H 4.010417 3.468348 -0.245609
H -1.014530 2.121348 2.147615
H -2.663450 2.724737 -1.836621
H 0.591920 -1.640372 1.739673
H 1.608959 -5.454555 -0.103049
H -0.729547 -5.576669 -1.096009
H -2.359283 -3.693240 -0.670639
H -5.538590 3.031954 -0.148925
H -4.565979 4.302841 0.515410
H -3.637117 -0.628075 0.248187


