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	hartrees
Energy at 0K	-431.855749
Energy at 298.15K	-431.858449
Nuclear repulsion energy	48.398536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3395	3040	1.49
2	A	3392	3038	5.34
3	A	3232	2894	0.76
4	A	1644	1472	11.26
5	A	1602	1434	14.50
6	A	1488	1333	2.80
7	A	960	860	3.18
8	A	859	769	2.43
9	A	637	571	62.40

Atom	x (Å)	y (Å)	z (Å)
C1	1.096	0.000	-0.006
S2	-0.693	0.000	-0.002
H3	1.449	-0.000	1.042
H4	1.529	-0.894	-0.488
H5	1.529	0.894	-0.488

	C1	S2	H3	H4	H5
C1		1.7887	1.1054	1.1046	1.1046
S2	1.7887		2.3821	2.4439	2.4439
H3	1.1054	2.3821		1.7741	1.7741
H4	1.1046	2.4439	1.7741		1.7886
H5	1.1046	2.4439	1.7741	1.7886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	C1	H3	108.476	S2	C1	H4	113.141
S2	C1	H5	113.143	H3	C1	H4	106.794
H3	C1	H5	106.795	H4	C1	H5	108.116

All results from a given calculation for CH₃S (thiomethoxy)

using model chemistry: LSDA/STO-3G

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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Number	Element	Mulliken
1	C	-0.373
2	S	0.073
3	H	0.107
4	H	0.097
5	H	0.097

	x	y	z	Total
	0.852	-0.000	0.098	0.857
CHELPG
AIM
ESP

	x	y	z
x	2.437	0.000	0.007
y	0.000	1.032	0.000
z	0.007	0.000	1.342

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH3S (thiomethoxy)

using model chemistry: LSDA/STO-3G

States and conformations

All results from a given calculation for CH₃S (thiomethoxy)