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	hartrees
Energy at 0K	-437.390311
Energy at 298.15K	-437.393040
HF Energy	-437.107179
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3199	3024	2.81
2	A	3182	3008	15.09
3	A	3096	2927	13.63
4	A	1518	1435	11.65
5	A	1434	1356	8.17
6	A	1410	1333	7.05
7	A	911	861	1.05
8	A	741	701	0.31
9	A	621	587	45.09

Atom	x (Å)	y (Å)	z (Å)
C1	1.112	0.000	-0.007
S2	-0.696	0.000	-0.002
H3	1.435	-0.000	1.037
H4	1.511	-0.894	-0.484
H5	1.511	0.894	-0.483

	C1	S2	H3	H4	H5
C1		1.8077	1.0931	1.0885	1.0885
S2	1.8077		2.3704	2.4291	2.4291
H3	1.0931	2.3704		1.7656	1.7656
H4	1.0885	2.4291	1.7656		1.7871
H5	1.0885	2.4291	1.7656	1.7871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	C1	H3	107.013	S2	C1	H4	111.589
S2	C1	H5	111.589	H3	C1	H4	108.058
H3	C1	H5	108.059	H4	C1	H5	110.348

All results from a given calculation for CH₃S (thiomethoxy)

using model chemistry: QCISD/6-31+G**

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: QCISD/6-31+G**

States and conformations

All results from a given calculation for CH₃S (thiomethoxy)