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	hartrees
Energy at 0K	-437.472246
Energy at 298.15K	-437.474963
HF Energy	-437.147297
Nuclear repulsion energy	48.651387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3184	3030	1.04
2	A	3162	3008	9.87
3	A	3072	2923	6.51
4	A	1495	1422	11.57
5	A	1416	1347	8.10
6	A	1349	1284	3.39
7	A	879	836	0.72
8	A	745	709	0.57
9	A	614	584	33.36

Atom	x (Å)	y (Å)	z (Å)
C1	1.105	0.000	-0.007
S2	-0.690	0.000	-0.002
H3	1.417	-0.002	1.037
H4	1.495	-0.894	-0.485
H5	1.495	0.895	-0.482

	C1	S2	H3	H4	H5
C1		1.7943	1.0901	1.0859	1.0859
S2	1.7943		2.3489	2.4089	2.4091
H3	1.0901	2.3489		1.7659	1.7660
H4	1.0859	2.4089	1.7659		1.7892
H5	1.0859	2.4091	1.7660	1.7892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	C1	H3	106.476	S2	C1	H4	111.116
S2	C1	H5	111.132	H3	C1	H4	108.496
H3	C1	H5	108.506	H4	C1	H5	110.942

All results from a given calculation for CH₃S (thiomethoxy)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₃S (thiomethoxy)