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	hartrees
Energy at 0K	-437.363238
Energy at 298.15K	-437.365942
HF Energy	-437.101152
Nuclear repulsion energy	48.205193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3164	3013	3.03
2	A	3147	2996	13.74
3	A	3066	2920	10.48
4	A	1527	1454	12.53
5	A	1456	1386	9.84
6	A	1415	1348	4.58
7	A	925	881	1.78
8	A	745	710	0.41
9	A	578	550	56.57

Atom	x (Å)	y (Å)	z (Å)
C1	1.112	0.000	-0.007
S2	-0.696	0.000	-0.002
H3	1.441	-0.001	1.041
H4	1.511	-0.898	-0.488
H5	1.511	0.898	-0.487

	C1	S2	H3	H4	H5
C1		1.8081	1.0985	1.0941	1.0941
S2	1.8081		2.3779	2.4320	2.4321
H3	1.0985	2.3779		1.7745	1.7746
H4	1.0941	2.4320	1.7745		1.7961
H5	1.0941	2.4321	1.7746	1.7961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	C1	H3	107.261	S2	C1	H4	111.476
S2	C1	H5	111.481	H3	C1	H4	108.059
H3	C1	H5	108.063	H4	C1	H5	110.331

All results from a given calculation for CH₃S (thiomethoxy)

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

States and conformations

All results from a given calculation for CH₃S (thiomethoxy)