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	hartrees
Energy at 0K	-437.341681
Energy at 298.15K	-437.344409
HF Energy	-437.101352
Nuclear repulsion energy	48.341200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3223	2977	2.21
2	A	3207	2963	12.04
3	A	3125	2887	10.75
4	A	1552	1434	12.49
5	A	1483	1370	10.29
6	A	1441	1331	4.61
7	A	943	871	1.70
8	A	761	703	0.35
9	A	594	549	54.79

Atom	x (Å)	y (Å)	z (Å)
C1	1.110	0.000	-0.006
S2	-0.694	0.000	-0.002
H3	1.438	-0.001	1.037
H4	1.506	-0.894	-0.487
H5	1.506	0.894	-0.486

	C1	S2	H3	H4	H5
C1		1.8040	1.0938	1.0897	1.0896
S2	1.8040		2.3715	2.4241	2.4242
H3	1.0938	2.3715		1.7681	1.7681
H4	1.0897	2.4241	1.7681		1.7882
H5	1.0896	2.4242	1.7681	1.7882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	C1	H3	107.297	S2	C1	H4	111.405
S2	C1	H5	111.408	H3	C1	H4	108.146
H3	C1	H5	108.149	H4	C1	H5	110.279

All results from a given calculation for CH₃S (thiomethoxy)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for CH₃S (thiomethoxy)