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	hartrees
Energy at 0K	-437.387334
Energy at 298.15K	-437.390058
HF Energy	-437.123315
Nuclear repulsion energy	48.187805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3206	3047	2.44
2	A	3183	3025	9.42
3	A	3082	2930	10.26
4	A	1481	1408	11.48
5	A	1408	1338	9.00
6	A	1339	1273	4.42
7	A	876	832	1.16
8	A	745	708	0.62
9	A	626	595	38.97

Atom	x (Å)	y (Å)	z (Å)
C1	1.111	0.000	-0.008
S2	-0.695	0.000	-0.002
H3	1.426	-0.000	1.050
H4	1.517	-0.904	-0.485
H5	1.517	0.904	-0.484

	C1	S2	H3	H4	H5
C1		1.8060	1.1041	1.0997	1.0997
S2	1.8060		2.3678	2.4378	2.4378
H3	1.1041	2.3678		1.7834	1.7834
H4	1.0997	2.4378	1.7834		1.8082
H5	1.0997	2.4378	1.7834	1.8082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	C1	H3	106.402	S2	C1	H4	111.752
S2	C1	H5	111.753	H3	C1	H4	108.051
H3	C1	H5	108.052	H4	C1	H5	110.603

All results from a given calculation for CH₃S (thiomethoxy)

using model chemistry: MP2=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃S (thiomethoxy)