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	hartrees
Energy at 0K	-437.371277
Energy at 298.15K	-437.374003
HF Energy	-437.101303
Nuclear repulsion energy	48.312898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3208	3010	1.78
2	A	3191	2994	11.26
3	A	3108	2916	8.50
4	A	1539	1444	12.96
5	A	1467	1377	10.36
6	A	1427	1339	4.35
7	A	932	875	1.98
8	A	753	707	0.44
9	A	606	568	55.52

Atom	x (Å)	y (Å)	z (Å)
C1	-1.111	-0.000	-0.006
S2	0.695	-0.000	-0.002
H3	-1.436	-0.001	1.039
H4	-1.506	0.897	-0.487
H5	-1.507	-0.896	-0.488

	C1	S2	H3	H4	H5
C1		1.8063	1.0949	1.0911	1.0911
S2	1.8063		2.3718	2.4257	2.4259
H3	1.0949	2.3718		1.7715	1.7715
H4	1.0911	2.4257	1.7715		1.7924
H5	1.0911	2.4259	1.7715	1.7924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	C1	H3	107.114	S2	C1	H4	111.287
S2	C1	H5	111.302	H3	C1	H4	108.267
H3	C1	H5	108.266	H4	C1	H5	110.451

All results from a given calculation for CH₃S (thiomethoxy)

using model chemistry: MP3=FULL/6-31G*

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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for CH₃S (thiomethoxy)