%chk=000042651.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042651

0 1
 S    2.546400      -2.294700      1.9999999E-04
 O   -5.096100      0.8024000      2.0000001E-03
 O   -4.450300      -1.300200      1.6000000E-03
 O    4.223600       2.081900      3.0000000E-03
 N   -1.812900     -0.5629000      1.9999999E-04
 N    1.877500      0.2024000     -1.4000000E-03
 N   -4.177800     -6.5899998E-02  1.3000000E-03
 N    4.236300     -0.2912000     -3.0000001E-04
 C  -0.6135000      0.1001000     -1.5000000E-03
 C   0.7105000     -0.5402000     -7.9999998E-04
 C  -0.8784000       1.451700     -2.4000001E-03
 C   -2.839400      0.3450000     -6.0000003E-04
 C   -2.286800       1.606700     -2.0999999E-03
 C   0.8747000      -1.911700      9.9999997E-05
 C    2.905700     -0.6167000     -8.9999998E-04
 C    4.780500      0.9933000      1.5000000E-03
 H   -1.928900      -1.567300      1.6000000E-03
 H  -0.1455000       2.247300     -3.3000000E-03
 H   -2.830600       2.541700     -2.6000000E-03
 H   0.1297000      -2.695100      6.0000003E-04
 H    4.880400      -1.077600     -3.0000001E-04
 H    5.881700      0.9212000      1.9000000E-03


%chk=000042651-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042651

0 1
S 2.604297 -2.497564 0.000961
O -5.099774 0.946444 -0.000453
O -4.449953 -1.264802 0.000490
O 4.014960 2.149827 0.000698
N -1.845761 -0.587127 -0.000074
N 1.846547 0.084105 -0.000365
N -4.195991 0.021091 -0.000517
N 4.252528 -0.217852 -0.000110
C -0.598373 0.022871 -0.000253
C 0.668492 -0.692806 0.000069
C -0.805962 1.428653 -0.000690
C -2.824200 0.401453 -0.000517
C -2.205979 1.667379 -0.000927
C 0.862556 -2.071409 0.000771
C 2.927426 -0.655784 0.000006
C 4.715271 1.119637 0.000479
H -2.087744 -1.579382 0.000290
H -0.000276 2.159184 -0.000812
H -2.726190 2.621672 -0.001283
H 0.128031 -2.873824 0.001158
H 4.977348 -0.939911 -0.000669
H 5.829547 1.128345 -0.000448


