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	hartrees
Energy at 0K	-435.231705
Energy at 298.15K	-435.234418
HF Energy	-435.039441
Nuclear repulsion energy	48.062899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3164	3010	0.31
2	A	3154	3000	10.46
3	A	3076	2927	5.38
4	A	1583	1506	14.49
5	A	1505	1432	15.54
6	A	1455	1384	3.24
7	A	958	911	2.56
8	A	717	682	0.41
9	A	584	555	77.05

Atom	x (Å)	y (Å)	z (Å)
C1	1.118	0.000	-0.006
S2	-0.699	0.000	-0.001
H3	1.446	-0.001	1.041
H4	1.511	-0.897	-0.491
H5	1.511	0.898	-0.489

	C1	S2	H3	H4	H5
C1		1.8171	1.0978	1.0920	1.0920
S2	1.8171		2.3850	2.4339	2.4340
H3	1.0978	2.3850		1.7758	1.7758
H4	1.0920	2.4339	1.7758		1.7944
H5	1.0920	2.4340	1.7758	1.7944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	C1	H3	107.222	S2	C1	H4	111.114
S2	C1	H5	111.119	H3	C1	H4	108.376
H3	C1	H5	108.380	H4	C1	H5	110.495

All results from a given calculation for CH₃S (thiomethoxy)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for CH₃S (thiomethoxy)