%chk=000187487.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187487

0 1
S -2.838885 1.578362 0.250647
O -2.683847 0.028273 -0.437925
O -4.104006 1.903898 -0.767478
O -3.310193 1.450892 1.578514
O -1.707191 2.357696 -0.107398
O 4.202997 2.229698 0.649073
O 4.960269 0.455024 -0.486871
C 0.822194 -1.085647 -0.213645
C -1.555809 -0.746917 -0.245969
C -0.267830 -0.213183 -0.352888
C 0.605463 -2.455026 0.018969
C -1.796842 -2.107620 -0.007598
C -0.696255 -2.956164 0.122034
C 2.204988 -0.588481 -0.324025
C 2.619069 0.578480 0.186761
C 4.022425 1.004818 0.046505
H -0.106363 0.850191 -0.558483
H 1.453562 -3.130956 0.126141
H -2.818240 -2.476355 0.066479
H -0.854441 -4.020127 0.306767
H 2.903669 -1.252003 -0.855919
H 1.968322 1.272892 0.729194
H -4.308318 1.208604 -1.431965
H 5.140563 2.555553 0.573679


%chk=000187487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187487

0 1
S -3.354486 1.332118 0.634273
O -2.569096 0.080622 -0.800235
O -4.129716 2.259603 -0.729524
O -4.529828 0.740240 1.555359
O -2.156546 2.177600 1.303417
O 4.411665 2.355703 -0.221324
O 5.104255 0.166569 0.177588
C 0.892848 -1.066290 -0.085852
C -1.519478 -0.735253 -0.437551
C -0.200429 -0.209510 -0.373614
C 0.626875 -2.452035 0.137902
C -1.772863 -2.117874 -0.182882
C -0.688174 -2.970545 0.088604
C 2.284850 -0.598649 -0.008139
C 2.731531 0.684701 -0.151642
C 4.174410 0.982677 -0.042115
H -0.058221 0.860530 -0.553919
H 1.465390 -3.122664 0.359952
H -2.803855 -2.482758 -0.223206
H -0.860723 -4.036342 0.267464
H 3.049045 -1.364273 0.190529
H 2.073401 1.537770 -0.341656
H -3.703406 1.888526 -1.559634
H 5.387852 2.531437 -0.139195


