%chk=000042654.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042654

0 1
 S    2.904900       1.439200       0.000000    
 S   -2.905000      -1.439200     -9.9999997E-05
 N    1.647300     -0.8193000      3.0000001E-04
 N   -1.647200      0.8193000      1.9999999E-04
 N    4.006000     -0.9819000     -6.0000003E-04
 N   -4.006000      0.9820000     -6.0000003E-04
 C   0.7004000      0.1864000      1.9999999E-04
 C  -0.7004000     -0.1864000      1.9999999E-04
 C    1.190400       1.475600      9.9999997E-05
 C   -1.190300      -1.475500      9.9999997E-05
 C    2.844200     -0.2759000      1.9999999E-04
 C   -2.844200      0.2758000      1.9999999E-04
 H   0.6517000       2.413100       0.000000    
 H  -0.6516000      -2.413000      9.9999997E-05
 H    4.910700     -0.5226000     -1.2000001E-03
 H    4.014500      -1.996600     -8.9999998E-04
 H   -4.910800      0.5227000     -1.4000000E-03
 H   -4.014500       1.996600     -1.3000000E-03


%chk=000042654-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042654

0 1
S 2.970345 1.556224 -0.000341
S -2.970331 -1.556189 -0.000452
N 1.699218 -0.814461 -0.000201
N -1.699206 0.814494 -0.000294
N 4.084606 -1.025775 -0.000108
N -4.084595 1.025807 -0.000260
C 0.706562 0.191442 -0.000292
C -0.706551 -0.191408 -0.000300
C 1.163989 1.499297 -0.000300
C -1.163979 -1.499262 -0.000205
C 2.915351 -0.300014 -0.000184
C -2.915340 0.300044 -0.000283
H 0.576708 2.412915 -0.000344
H -0.576697 -2.412880 -0.000159
H 4.995023 -0.577777 -0.000159
H 4.018300 -2.040862 -0.000029
H -4.995014 0.577811 -0.000408
H -4.018288 2.040893 -0.000182


