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	hartrees
Energy at 0K	-438.171835
Energy at 298.15K	-438.175738
HF Energy	-437.756637
Nuclear repulsion energy	56.626088

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'	3201	3039	4.37	56.04	0.75	0.86
2	A'	3117	2960	19.36	133.63	0.00	0.00
3	A'	2777	2637	1.42	120.61	0.28	0.44
4	A'	1518	1441	6.94	7.85	0.75	0.86
5	A'	1377	1307	5.33	0.38	0.62	0.76
6	A'	1110	1054	11.25	5.14	0.73	0.84
7	A'	816	774	0.45	7.48	0.30	0.47
8	A'	743	705	1.42	11.65	0.21	0.35
9	A"	3205	3043	4.81	58.73	0.75	0.86
10	A"	1504	1428	4.40	7.58	0.75	0.86
11	A"	990	940	4.61	1.96	0.75	0.86
12	A"	255	242	13.53	3.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	1.147	0.000
S2	-0.047	-0.662	0.000
H3	1.276	-0.816	0.000
H4	-1.088	1.448	0.000
H5	0.428	1.541	0.888
H6	0.428	1.541	-0.888

	C1	S2	H3	H4	H5	H6
C1		1.8093	2.3674	1.0830	1.0815	1.0815
S2	1.8093		1.3322	2.3528	2.4225	2.4225
H3	2.3674	1.3322		3.2730	2.6576	2.6576
H4	1.0830	2.3528	3.2730		1.7589	1.7589
H5	1.0815	2.4225	2.6576	1.7589		1.7763
H6	1.0815	2.4225	2.6576	1.7589	1.7763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.622	S2	C1	H4	106.138
S2	C1	H5	111.355	S2	C1	H6	111.355
H4	C1	H5	108.709	H4	C1	H6	108.709
H5	C1	H6	110.417

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2=FULL/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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)