%chk=000117698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117698

0 1
 S    2.446800     -0.1728000      1.7800000E-02
 S   -1.723500       1.081900      4.9999999E-03
 O    3.550500       1.001400     -0.2330000    
 O    2.429900      -1.052500      -1.136100    
 O    2.611800     -0.6883000       1.364300    
 N   -4.280800      0.4372000     -5.7000001E-03
 N   -2.761800      -1.371400      1.7000000E-03
 C    1.009000      0.8527000     -2.4700001E-02
 C  -0.2562000      1.5699999E-02  9.8000001E-03
 C   -3.025900     -0.1040000      7.9999998E-04
 H    1.070300       1.530100      0.8339000    
 H    1.059200       1.438700     -0.9491000    
 H  -0.2699000     -0.6095000      0.9091000    
 H  -0.2912000     -0.6472000     -0.8615000    
 H    3.573600       1.374600      -1.145500    
 H   -5.109100     -0.1479000     -9.9999998E-03
 H   -4.420500       1.441800     -7.4000000E-03
 H   -3.644900      -1.893400     -2.3000001E-03


%chk=000117698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117698

0 1
S 2.279886 -0.239958 -0.129386
S -1.899447 0.958781 1.213677
O 3.015124 1.182634 -1.098035
O 2.356617 -1.583860 -1.026855
O 2.897150 -0.260266 1.368465
N -4.189296 0.454341 -0.103782
N -2.207420 -0.684993 -0.960135
C 0.513349 0.574138 -0.100985
C -0.271338 0.016738 1.077429
C -2.847241 0.100872 -0.144078
H 0.756688 1.643892 -0.022066
H 0.075753 0.296042 -1.070897
H 0.239341 0.171421 2.041773
H -0.525123 -1.044086 0.930103
H 3.945116 0.925143 -1.360344
H -4.820301 0.152923 -0.844035
H -4.572532 1.002405 0.664907
H -2.779028 -1.179068 -1.668655


