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	hartrees
Energy at 0K	-438.135750
Energy at 298.15K	-438.139667
HF Energy	-437.729664
Nuclear repulsion energy	56.403178

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'	3207	3037	6.50	64.85	0.75	0.86
2	A'	3106	2941	26.06	113.46	0.00	0.01
3	A'	2693	2551	11.19	146.41	0.38	0.55
4	A'	1529	1448	9.74	13.48	0.75	0.86
5	A'	1433	1357	5.99	2.14	0.73	0.84
6	A'	1139	1079	24.67	11.25	0.72	0.84
7	A'	827	783	1.69	7.51	0.46	0.63
8	A'	752	713	1.70	13.98	0.27	0.42
9	A"	3205	3035	8.56	69.33	0.75	0.86
10	A"	1517	1437	6.23	12.80	0.75	0.86
11	A"	1024	969	13.63	4.08	0.75	0.86
12	A"	256	243	20.57	7.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.148	0.000
S2	-0.048	-0.664	0.000
H3	1.286	-0.820	0.000
H4	-1.092	1.460	0.000
H5	0.430	1.551	0.891
H6	0.430	1.551	-0.891

	C1	S2	H3	H4	H5	H6
C1		1.8124	2.3775	1.0891	1.0886	1.0886
S2	1.8124		1.3428	2.3664	2.4352	2.4352
H3	2.3775	1.3428		3.2937	2.6739	2.6739
H4	1.0891	2.3664	3.2937		1.7654	1.7654
H5	1.0886	2.4352	2.6739	1.7654		1.7829
H6	1.0886	2.4352	2.6739	1.7654	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.662	S2	C1	H4	106.618
S2	C1	H5	111.721	S2	C1	H6	111.721
H4	C1	H5	108.330	H4	C1	H6	108.330
H5	C1	H6	109.953

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)