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	hartrees
Energy at 0K	-437.362773
Energy at 298.15K	-437.365486
Nuclear repulsion energy	48.192740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3170	2993	2.75
2	A	3153	2977	13.13
3	A	3073	2901	10.22
4	A	1528	1443	12.52
5	A	1453	1372	10.02
6	A	1416	1337	4.59
7	A	926	874	1.80
8	A	744	703	0.40
9	A	594	561	54.81

Atom	x (Å)	y (Å)	z (Å)
C1	1.113	0.000	-0.007
S2	-0.696	0.000	-0.002
H3	1.440	-0.001	1.041
H4	1.512	-0.898	-0.488
H5	1.512	0.898	-0.487

	C1	S2	H3	H4	H5
C1		1.8092	1.0980	1.0936	1.0936
S2	1.8092		2.3772	2.4324	2.4325
H3	1.0980	2.3772		1.7742	1.7742
H4	1.0936	2.4324	1.7742		1.7956
H5	1.0936	2.4325	1.7742	1.7956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	C1	H3	107.164	S2	C1	H4	111.461
S2	C1	H5	111.464	H3	C1	H4	108.108
H3	C1	H5	108.111	H4	C1	H5	110.363

All results from a given calculation for CH₃S (thiomethoxy)

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

States and conformations

All results from a given calculation for CH₃S (thiomethoxy)