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	hartrees
Energy at 0K	-49.587646
Energy at 298.15K	-49.590297
HF Energy	-49.468488
Nuclear repulsion energy	23.435138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3168	3051	10.28
2	A	3156	3039	21.15
3	A	3042	2929	21.77
4	A	1513	1457	10.86
5	A	1434	1381	12.42
6	A	1413	1361	3.43
7	A	927	893	3.57
8	A	669	645	0.33
9	A	547	527	67.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.684	0.000	-0.006
S2	-1.209	0.000	-0.004
H3	1.008	-0.002	1.049
H4	1.069	-0.904	-0.498
H5	1.070	0.906	-0.494

	C1	S2	H3	H4	H5
C1		1.8927	1.1037	1.0992	1.0992
S2	1.8927		2.4544	2.5002	2.5004
H3	1.1037	2.4544		1.7920	1.7920
H4	1.0992	2.5002	1.7920		1.8102
H5	1.0992	2.5004	1.7920	1.8102

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	C1	H3	107.030	S2	C1	H4	110.547
S2	C1	H5	110.559	H3	C1	H4	108.865
H3	C1	H5	108.874	H4	C1	H5	110.858

All results from a given calculation for CH₃S (thiomethoxy)

using model chemistry: MP2/LANL2DZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3S (thiomethoxy)

using model chemistry: MP2/LANL2DZ

States and conformations

All results from a given calculation for CH₃S (thiomethoxy)