%chk=000080563.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080563

0 1
 S    2.834300      1.1900000E-02 -9.5200002E-02
 O    3.294500      -1.243100     -0.6729000    
 O    3.275400       1.276200     -0.6678000    
 O   -3.793000      -1.107600      4.2100001E-02
 N    3.190800      1.3100000E-02   1.575800    
 N   -3.812700       1.185400      2.8700000E-02
 C    1.088800     -3.5000001E-03 -6.3299999E-02
 C   0.3809000       1.198200     -4.8900001E-02
 C   0.4022000      -1.217600     -5.1800001E-02
 C   -1.700400     -2.8100001E-02 -1.2100000E-02
 C   -1.013700       1.185900     -2.3399999E-02
 C  -0.9925000      -1.229900     -2.6300000E-02
 C   -3.154400     -4.0899999E-02  1.4900000E-02
 H   0.8963000       2.154700     -5.0600000E-02
 H   0.9333000      -2.165200     -5.5799998E-02
 H   -1.497200       2.155200     -1.1400000E-02
 H   -1.504700      -2.188300     -1.6400000E-02
 H    3.586100     -0.8449000       1.979600    
 H    3.571000      0.8769000       1.981600    
 H   -3.373400       2.096600      1.2800000E-02
 H   -4.827500       1.203500      5.4600000E-02


%chk=000080563-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080563

0 1
S 2.906251 0.056918 -0.048039
O 3.386037 -1.317665 -0.776038
O 3.370354 1.542695 -0.526661
O -3.865681 -1.140456 0.349688
N 3.379083 -0.075538 1.724051
N -3.971154 1.098725 -0.240274
C 1.020242 0.041803 0.011813
C 0.359496 1.273973 0.123541
C 0.362021 -1.194610 -0.081831
C -1.761387 0.034529 0.046388
C -1.052003 1.260484 0.138635
C -1.047543 -1.186673 -0.056321
C -3.271081 -0.055839 0.068885
H 0.929272 2.206793 0.178330
H 0.931978 -2.122301 -0.193215
H -1.582507 2.211836 0.257544
H -1.621171 -2.117148 -0.109672
H 3.866964 -0.975455 1.866739
H 3.958154 0.746856 1.962381
H -3.523589 1.946284 -0.582114
H -4.989636 1.053290 -0.219631


