%chk=000042647.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042647

0 1
 S    1.334000      0.7673000      5.0000002E-04
 S   -3.209400      -1.988500      3.0000001E-04
 O    5.169500      0.3308000      5.0000002E-04
 O    3.884700       2.116100      3.9999999E-04
 O   -3.361600       2.696000     -2.3000001E-03
 N   -1.760100      0.1519000      8.9999998E-04
 N   -4.150400      0.4577000      1.4000000E-03
 N    4.023400      0.8610000      5.0000002E-04
 C   0.5602000     -0.7602000     -3.9999999E-04
 C  -0.9052000     -0.9323000     -9.9999997E-05
 C    1.465600      -1.798300     -1.1000000E-03
 C    2.885200      4.1999999E-02 -1.9999999E-04
 C    2.812500      -1.333700     -1.0000000E-03
 C   -1.504500      -2.173900     -6.9999998E-04
 C   -2.999800     -0.2854000      1.3000000E-03
 C   -4.244100       1.849500     -3.0000001E-04
 H    1.208500      -2.849800     -1.7000000E-03
 H    3.676300      -1.987000     -1.3000000E-03
 H   -1.065800      -3.161500     -1.4000000E-03
 H   -5.016500     -7.4500002E-02  2.0999999E-03
 H   -5.308300       2.141900       0.000000    


%chk=000042647-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042647

0 1
S 1.143062 0.774292 0.000106
S -3.358867 -2.154427 -0.000019
O 5.129041 0.446288 0.000655
O 3.719650 2.260148 0.001665
O -3.093650 2.693085 -0.002060
N -1.761179 0.006718 0.000481
N -4.126518 0.549753 0.001109
N 3.948486 0.982455 -0.000566
C 0.516343 -0.921308 -0.000390
C -0.923054 -1.128046 -0.000171
C 1.550045 -1.866777 -0.000943
C 2.813351 0.100607 -0.000580
C 2.853414 -1.291457 -0.001020
C -1.580451 -2.356067 -0.000480
C -3.032295 -0.313644 0.000648
C -4.104234 1.967076 0.000087
H 1.373930 -2.944759 -0.001290
H 3.789284 -1.851855 -0.001425
H -1.158690 -3.357914 -0.000884
H -5.054852 0.119532 0.002187
H -5.148616 2.355400 0.000290


