%chk=000095983.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095983

0 1
 S    3.932600      6.5099999E-02   1.023800    
 N   0.7896000       1.081100     -0.2718000    
 N   0.8162000      -1.141200     -0.2461000    
 C  -0.5163000      0.7014000     -9.5500000E-02
 C  -0.4734000     -0.6900000     -8.2999997E-02
 C    1.546600     -5.4099999E-02 -0.3560000    
 C   -1.695400       1.433200      4.9600001E-02
 C   -1.668200      -1.410600      8.2999997E-02
 C    3.007400      1.1700000E-02 -0.5486000    
 C   -2.875100      0.7000000      0.2141000    
 C   -2.863900     -0.6966000      0.2306000    
 H    1.128900       2.032300     -0.3280000    
 H   -1.701500       2.517200      3.6300000E-02
 H   -1.670100      -2.495700      9.7400002E-02
 H    3.345800     -0.8691000      -1.104100    
 H    3.285500      0.8915000      -1.138700    
 H   -3.818300       1.228000      0.3310000    
 H   -3.797200      -1.238800      0.3601000    
 H    3.437800       1.234900       1.454900    


%chk=000095983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095983

0 1
S 4.016975 0.285857 1.097305
N 0.795310 1.097119 -0.181253
N 0.791286 -1.180772 -0.321646
C -0.547314 0.717449 -0.039641
C -0.530375 -0.717852 -0.133569
C 1.556232 -0.074637 -0.343456
C -1.736873 1.450316 0.151358
C -1.739042 -1.445027 -0.036764
C 3.036020 -0.070365 -0.514105
C -2.931045 0.703928 0.247064
C -2.932643 -0.719647 0.154235
H 1.155548 2.049480 -0.161594
H -1.747090 2.542928 0.223947
H -1.733352 -2.536798 -0.107117
H 3.358737 -1.079681 -0.804793
H 3.381032 0.652662 -1.270564
H -3.880119 1.230311 0.397034
H -3.883585 -1.257081 0.234948
H 3.781301 1.652110 1.117612


