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	hartrees
Energy at 0K	-437.343277
Energy at 298.15K	-437.346001
HF Energy	-437.101339
Nuclear repulsion energy	48.320467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3214	2976	2.57
2	A	3199	2961	12.97
3	A	3118	2887	11.21
4	A	1550	1435	12.53
5	A	1479	1370	10.21
6	A	1438	1331	4.81
7	A	941	871	1.65
8	A	758	701	0.34
9	A	591	547	55.21

Atom	x (Å)	y (Å)	z (Å)
C1	1.110	0.000	-0.006
S2	-0.695	0.000	-0.002
H3	1.438	-0.001	1.037
H4	1.507	-0.894	-0.487
H5	1.507	0.895	-0.486

	C1	S2	H3	H4	H5
C1		1.8048	1.0942	1.0900	1.0900
S2	1.8048		2.3723	2.4252	2.4252
H3	1.0942	2.3723		1.7686	1.7687
H4	1.0900	2.4252	1.7686		1.7891
H5	1.0900	2.4252	1.7687	1.7891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	C1	H3	107.281	S2	C1	H4	111.405
S2	C1	H5	111.409	H3	C1	H4	108.140
H3	C1	H5	108.143	H4	C1	H5	110.304

All results from a given calculation for CH₃S (thiomethoxy)

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

States and conformations

All results from a given calculation for CH₃S (thiomethoxy)