%chk=000126103.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126103

0 1
 S    4.294000       1.066100     -7.6399997E-02
 O    1.466300       1.902500     -6.8999999E-03
 N   -3.390700      0.3114000      4.8200000E-02
 N   -7.012600     -0.5372000     -0.1164000    
 C  -0.9468000      0.5094000      7.2800003E-02
 C   -2.143200     -0.4444000      6.1700001E-02
 C   0.3908000     -0.2358000      0.1020000    
 C   -4.573300     -0.5507000      6.0999999E-03
 C    1.613400      0.6796000      3.2800000E-02
 C   -5.839800      0.2910000     -4.6200000E-02
 C    2.945000      5.0200000E-02 -1.9999999E-04
 C    3.227100      -1.268900      2.3900000E-02
 C    4.635600      -1.479500     -2.2299999E-02
 C    5.334400     -0.2938000     -7.9000004E-02
 H   -1.006200       1.173900      0.9446000    
 H  -0.9841000       1.154600     -0.8148000    
 H   -2.084000      -1.084500     -0.8265000    
 H   -2.103600      -1.090800      0.9466000    
 H   0.4563000     -0.8243000       1.024500    
 H   0.4338000     -0.9207000     -0.7531000    
 H   -3.436700      0.9169000      0.8674000    
 H   -4.591700      -1.199000      0.8911000    
 H   -4.526200      -1.195000     -0.8808000    
 H   -5.815200      0.9493000     -0.9223000    
 H   -5.901900      0.9342000      0.8397000    
 H    2.501400      -2.070100      7.2300002E-02
 H   -7.849000      4.4599999E-02 -0.1015000    
 H   -7.068300      -1.138400      0.7045000    
 H    5.112000      -2.451200     -1.4200000E-02
 H    6.406300     -0.1611000     -0.1218000    


%chk=000126103-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126103

0 1
S 4.407496 1.126749 0.232657
O 1.478168 1.910006 0.470625
N -3.417689 0.269407 0.018734
N -7.112204 -0.518992 0.013414
C -0.943845 0.484869 0.058322
C -2.148072 -0.471167 0.154036
C 0.396838 -0.267966 0.141996
C -4.638051 -0.556295 0.109299
C 1.608695 0.668451 0.242365
C -5.895141 0.296643 -0.150304
C 2.944215 0.064291 0.085264
C 3.315769 -1.260276 -0.164943
C 4.734677 -1.460646 -0.242763
C 5.457359 -0.287032 -0.053766
H -0.987050 1.236109 0.870243
H -1.005034 1.049803 -0.889459
H -2.101514 -1.217989 -0.665011
H -2.081871 -1.049937 1.114049
H 0.408200 -0.929487 1.035047
H 0.520652 -0.936229 -0.733113
H -3.453842 1.073086 0.662635
H -4.744500 -1.073513 1.100137
H -4.590088 -1.352093 -0.656884
H -5.853180 0.669219 -1.189226
H -5.859351 1.197987 0.514653
H 2.588771 -2.066875 -0.288016
H -7.956999 -0.121539 -0.404437
H -7.270466 -0.858176 0.966715
H 5.203234 -2.429075 -0.432334
H 6.537921 -0.151032 -0.064136


