%chk=000089112.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089112

0 1
 S    3.031900      0.2610000     -8.1400000E-02
 S   -2.351600       1.607200     -1.2300000E-02
 O    3.473500      0.3740000       1.488100    
 O    3.739800     -0.8801000     -0.6416000    
 O    3.154400       1.579500     -0.6821000    
 N   -2.780600     -0.9357000      2.2700001E-02
 N   -4.721000      0.4104000      3.9000001E-02
 C    1.327500     -0.1260000     -5.0000001E-02
 C  -0.9746000      0.5695000     -2.2399999E-02
 C   -1.404500     -0.7607000     -3.9999999E-04
 C   0.3880000      0.9082000     -4.7499999E-02
 C   0.9240000      -1.456500     -2.8200001E-02
 C  -0.4342000      -1.786500     -3.3000000E-03
 C   -3.372800      0.2356000      1.9400001E-02
 H   0.6886000       1.951400     -5.5900000E-02
 H    1.650400      -2.264800     -2.2200000E-02
 H  -0.7387000      -2.829100      1.5300000E-02
 H    3.369100     -0.4515000       2.017300    
 H   -5.140300       1.334300      3.5799999E-02
 H   -5.361500     -0.3763000      5.8200002E-02


%chk=000089112-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089112

0 1
S 3.069984 0.150230 -0.070650
S -2.386334 1.759677 0.011701
O 3.317351 0.128238 1.774097
O 3.884611 -1.097505 -0.701776
O 3.331218 1.658344 -0.599238
N -2.866253 -0.917765 -0.015436
N -4.845972 0.413023 0.015048
C 1.244971 -0.207775 -0.037985
C -0.993660 0.593379 -0.011799
C -1.474009 -0.764999 -0.022845
C 0.374332 0.897446 -0.015132
C 0.834283 -1.555664 -0.052476
C -0.545357 -1.834345 -0.048594
C -3.488584 0.248390 0.002542
H 0.767093 1.918223 -0.018362
H 1.578043 -2.357320 -0.082840
H -0.916624 -2.862108 -0.062416
H 4.291951 0.282935 1.946213
H -5.278459 1.332188 0.027786
H -5.431184 -0.420692 0.010662


