%chk=000042649.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042649

0 1
 S   0.8066000      -1.784300     -1.1000000E-03
 S   -2.585000       2.306000      3.9999999E-04
 O    4.520300       1.344300     -1.0000000E-03
 O    5.143000     -0.7653000      3.0000001E-04
 O   -4.260800      -2.071100      1.7000000E-03
 N   -1.915400     -0.1907000     -1.1000000E-03
 N    4.245300      0.1165000     -3.0000001E-04
 N   -4.274200      0.3021000     -1.3000000E-03
 C   0.5756000     -8.7600000E-02  1.9999999E-04
 C  -0.7528000      0.5544000      1.9999999E-04
 C    1.771100      0.5968000      1.2000001E-03
 C    2.891600     -0.2832000      8.9999998E-04
 C  -0.9132000       1.923600      1.1000000E-03
 C    2.509800      -1.606800     -3.0000001E-04
 C   -2.943800      0.6280000     -1.1000000E-03
 C   -4.818000     -0.9826000      9.9999997E-05
 H    1.857300       1.676500      1.9000000E-03
 H  -0.1762000       2.713900      2.0999999E-03
 H    3.133400      -2.490600     -1.2000001E-03
 H   -4.918600       1.088300     -1.7000000E-03
 H   -5.919400     -0.9109000     -1.9999999E-04


%chk=000042649-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042649

0 1
S 0.609816 -1.688983 -0.000795
S -2.724762 2.526147 0.000887
O 4.629727 1.205541 0.000958
O 5.129194 -1.027265 -0.000016
O -3.981540 -2.161434 0.001077
N -1.880232 -0.023840 -0.000461
N 4.290828 -0.043497 0.000406
N -4.296549 0.196794 -0.000638
C 0.570687 0.135736 -0.000011
C -0.729509 0.792504 0.000170
C 1.851906 0.665526 0.000371
C 2.863373 -0.354906 0.000054
C -0.968082 2.162555 0.000832
C 2.385432 -1.659476 -0.000694
C -2.987312 0.680222 -0.000265
C -4.715793 -1.155176 0.000104
H 2.093890 1.728857 0.000872
H -0.255091 2.982990 0.001275
H 2.965475 -2.579164 -0.001105
H -5.045403 0.894077 -0.001463
H -5.829454 -1.199908 -0.000758


