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	hartrees
Energy at 0K	-437.330895
Energy at 298.15K	-437.333631
HF Energy	-437.101283
Nuclear repulsion energy	48.362463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3216	3033	0.98
2	A	3198	3015	9.91
3	A	3107	2929	7.19
4	A	1543	1455	13.39
5	A	1467	1383	10.90
6	A	1427	1346	4.65
7	A	933	879	2.06
8	A	758	715	0.51
9	A	617	582	57.44

Atom	x (Å)	y (Å)	z (Å)
C1	1.110	0.000	-0.007
S2	-0.694	0.000	-0.002
H3	1.434	0.001	1.040
H4	1.506	-0.897	-0.486
H5	1.506	0.896	-0.487

	C1	S2	H3	H4	H5
C1		1.8040	1.0951	1.0911	1.0911
S2	1.8040		2.3687	2.4242	2.4244
H3	1.0951	2.3687		1.7713	1.7713
H4	1.0911	2.4242	1.7713		1.7928
H5	1.0911	2.4244	1.7713	1.7928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	C1	H3	107.032	S2	C1	H4	111.332
S2	C1	H5	111.349	H3	C1	H4	108.241
H3	C1	H5	108.239	H4	C1	H5	110.486

All results from a given calculation for CH₃S (thiomethoxy)

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

All results from a given calculation for CH₃S (thiomethoxy)