%chk=000107968.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107968

0 1
 S    3.684500      0.7989000     -0.8610000    
 O   -3.933000       1.113800       1.082400    
 O   -3.583800      0.9723000      -1.155000    
 N   -3.307200      -1.821800     -0.3665000    
 N    1.768400     -0.5698000      0.3199000    
 N    3.949500      -1.582500      0.2155000    
 C   -1.163500     -0.6432000     -0.1805000    
 C  -0.4088000      0.5413000      0.4405000    
 C   -2.618500     -0.7228000      0.3055000    
 C    1.030700      0.6377000     -5.4499999E-02
 C   -3.407000      0.5306000     -2.7000001E-02
 C    3.015100     -0.6015000      1.1000000E-03
 C    4.973600       1.346900      0.2798000    
 H  -0.6516000      -1.582300      6.3900001E-02
 H   -1.138900     -0.5403000      -1.273700    
 H  -0.9184000       1.481900      0.2023000    
 H  -0.4145000      0.4378000       1.532800    
 H   -2.636500     -0.8927000       1.388100    
 H   0.9922000      0.7685000      -1.143500    
 H    1.453900       1.531800      0.4209000    
 H   -4.239100      -1.937000      3.0900000E-02
 H   -2.813900      -2.695800     -0.1876000    
 H   -4.450800       1.917300      0.8619000    
 H    4.902000      -1.490800     -0.1198000    
 H    3.705700      -2.442300      0.6949000    
 H    5.780700      0.6123000      0.3373000    
 H    4.555200       1.503500       1.277800    
 H    5.391600       2.292400     -7.5700000E-02


%chk=000107968-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000107968

0 1
S 4.121585 1.131760 -0.653732
O -4.792217 0.233134 0.886318
O -3.502972 1.405995 -0.642175
N -3.189701 -1.933673 0.172594
N 1.733760 -0.337973 -0.221188
N 3.741264 -1.439572 0.305571
C -1.266450 -0.437490 -0.300839
C -0.442091 0.790955 0.136400
C -2.573913 -0.626909 0.492178
C 0.931043 0.849023 -0.566193
C -3.611023 0.449078 0.150936
C 3.023497 -0.338545 -0.155231
C 5.548020 1.002714 0.583401
H -0.635611 -1.337418 -0.161027
H -1.508855 -0.369087 -1.377848
H -0.998429 1.717235 -0.099527
H -0.277824 0.764902 1.232649
H -2.345764 -0.499924 1.581716
H 0.769295 0.869886 -1.664632
H 1.459579 1.789845 -0.297227
H -4.055666 -2.127345 0.683538
H -2.522452 -2.709686 0.184439
H -5.466514 0.919611 0.630801
H 4.717867 -1.565869 0.054046
H 3.199411 -2.248397 0.609048
H 6.311071 0.284630 0.243892
H 5.158614 0.718090 1.571534
H 5.992077 2.009227 0.631262


