%chk=000168101.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168101

0 1
 S    3.079200       1.591100     -0.2234000    
 S   -4.127500      0.1326000     -0.2289000    
 N    1.021500      -1.937200      4.8099998E-02
 C    1.223400     -0.5178000     -0.2686000    
 C   3.7000000E-02  0.3073000      0.2750000    
 C   -1.345700     -0.1421000     -0.2221000    
 C    2.610400     -0.1034000      0.2470000    
 C   -2.498400      0.6694000      0.3728000    
 H    1.217900     -0.4339000      -1.362900    
 H   0.1627000       1.360000     -2.7999999E-03
 H   4.7200002E-02  0.2724000       1.372500    
 H   -1.366200     -6.4099997E-02  -1.316600    
 H   -1.499300      -1.199100      2.6900001E-02
 H    2.655700     -0.1753000       1.339600    
 H    3.380100     -0.7696000     -0.1591000    
 H   -2.378200       1.729100      0.1248000    
 H   -2.494800      0.5825000       1.464300    
 H    1.032200      -2.068000       1.059200    
 H    1.798600      -2.486500     -0.3170000    
 H    2.205000       2.225200      0.5712000    
 H   -4.847900       1.022100      0.4699000    


%chk=000168101-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168101

0 1
S 3.125028 1.646935 -0.447448
S -4.112558 0.148410 -0.390258
N 1.015157 -1.984009 0.139105
C 1.209039 -0.562228 -0.222273
C 0.049828 0.277391 0.364264
C -1.321628 -0.094480 -0.244313
C 2.602270 -0.054759 0.241178
C -2.472441 0.666403 0.432261
H 1.170735 -0.489625 -1.326936
H 0.255868 1.351161 0.185732
H 0.026097 0.130817 1.466705
H -1.314511 0.136392 -1.327801
H -1.470035 -1.185264 -0.145613
H 2.667790 -0.017980 1.344027
H 3.392928 -0.728423 -0.132475
H -2.356482 1.757276 0.311618
H -2.531700 0.420194 1.506425
H 0.991756 -2.161972 1.149246
H 1.616829 -2.645549 -0.360882
H 2.304432 2.414402 0.362129
H -4.935503 0.969611 0.365208


