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	hartrees
Energy at 0K	-437.478994
Energy at 298.15K
Nuclear repulsion energy	48.622543

Atom	x (Å)	y (Å)	z (Å)
S1	0.004	-0.689	0.000
C2	0.004	1.103	0.000
H3	-1.043	1.410	0.000
H4	0.474	1.502	0.894
H5	0.474	1.502	-0.894

	S1	C2	H3	H4	H5
S1		1.7924	2.3464	2.4128	2.4128
C2	1.7924		1.0912	1.0860	1.0860
H3	2.3464	1.0912		1.7631	1.7631
H4	2.4128	1.0860	1.7631		1.7886
H5	2.4128	1.0860	1.7631	1.7886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	C1	H3	26.502	S2	C1	H4	24.751
S2	C1	H5	24.751	H3	C1	H4	43.462
H3	C1	H5	43.462	H4	C1	H5	43.513

All results from a given calculation for CH₃S (thiomethoxy)

using model chemistry: MP2/cc-pV(T+d)Z

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/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃S (thiomethoxy)