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	hartrees
Energy at 0K	-438.119887
Energy at 298.15K	-438.123768
HF Energy	-437.756586
Nuclear repulsion energy	56.449511

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'	3199	3037	4.62	56.88	0.75	0.86
2	A'	3098	2942	19.82	135.24	0.00	0.00
3	A'	2773	2633	1.39	121.64	0.28	0.44
4	A'	1507	1431	6.68	7.95	0.75	0.86
5	A'	1368	1299	5.96	0.38	0.62	0.77
6	A'	1104	1048	10.88	5.20	0.73	0.84
7	A'	810	769	0.46	7.49	0.31	0.47
8	A'	737	700	1.58	12.09	0.21	0.35
9	A"	3202	3040	5.23	59.58	0.75	0.86
10	A"	1493	1418	4.23	7.67	0.75	0.86
11	A"	986	936	4.39	2.03	0.75	0.86
12	A"	243	231	13.57	3.96	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.151	0.000
S2	-0.048	-0.664	0.000
H3	1.279	-0.818	0.000
H4	-1.091	1.453	0.000
H5	0.430	1.545	0.891
H6	0.430	1.545	-0.891

	C1	S2	H3	H4	H5	H6
C1		1.8151	2.3743	1.0864	1.0851	1.0851
S2	1.8151		1.3355	2.3608	2.4299	2.4299
H3	2.3743	1.3355		3.2829	2.6651	2.6651
H4	1.0864	2.3608	3.2829		1.7649	1.7649
H5	1.0851	2.4299	2.6651	1.7649		1.7820
H6	1.0851	2.4299	2.6651	1.7649	1.7820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.624	S2	C1	H4	106.172
S2	C1	H5	111.323	S2	C1	H6	111.323
H4	C1	H5	108.734	H4	C1	H6	108.734
H5	C1	H6	110.402

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)