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	hartrees
Energy at 0K	-432.977139
Energy at 298.15K	-432.981045
HF Energy	-432.894716
Nuclear repulsion energy	56.036115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3544	3150	1.61	26.39	0.74	0.85
2	A'	3354	2982	4.16	34.79	0.02	0.03
3	A'	3094	2750	25.77	60.45	0.32	0.48
4	A'	1743	1549	2.77	15.70	0.75	0.86
5	A'	1602	1424	7.09	3.75	0.75	0.86
6	A'	1269	1128	17.10	13.20	0.75	0.86
7	A'	945	840	1.17	6.41	0.48	0.65
8	A'	889	791	0.03	8.02	0.29	0.45
9	A"	3522	3131	6.49	26.25	0.75	0.86
10	A"	1731	1539	1.98	16.79	0.75	0.86
11	A"	1099	977	0.15	4.56	0.75	0.86
12	A"	256	228	8.51	9.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.050	1.147	0.000
S2	-0.050	-0.671	0.000
H3	1.296	-0.773	0.000
H4	-1.096	1.497	0.000
H5	0.446	1.568	0.894
H6	0.446	1.568	-0.894

	C1	S2	H3	H4	H5	H6
C1		1.8186	2.3449	1.1029	1.1050	1.1050
S2	1.8186		1.3491	2.4071	2.4616	2.4616
H3	2.3449	1.3491		3.2971	2.6464	2.6464
H4	1.1029	2.4071	3.2971		1.7832	1.7832
H5	1.1050	2.4616	2.6464	1.7832		1.7870
H6	1.1050	2.4616	2.6464	1.7832	1.7870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	94.336	S2	C1	H4	108.467
S2	C1	H5	112.396	S2	C1	H6	112.396
H4	C1	H5	107.733	H4	C1	H6	107.733
H5	C1	H6	107.917

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3SH (Methanethiol)

using model chemistry: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)