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	hartrees
Energy at 0K	-50.192611
Energy at 298.15K	-50.196455
HF Energy	-50.053055
Nuclear repulsion energy	27.531152

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'	3193	3075	15.58	55.95	0.75	0.86
2	A'	3064	2951	35.04	130.78	0.01	0.02
3	A'	2566	2471	33.98	137.89	0.32	0.48
4	A'	1519	1463	6.95	18.06	0.73	0.85
5	A'	1428	1375	3.85	0.50	0.74	0.85
6	A'	1116	1074	21.18	23.91	0.73	0.84
7	A'	803	773	2.55	9.43	0.70	0.82
8	A'	669	644	1.24	30.23	0.28	0.43
9	A"	3188	3070	27.81	55.40	0.75	0.86
10	A"	1509	1453	8.26	19.58	0.75	0.86
11	A"	1008	971	9.08	13.40	0.75	0.86
12	A"	245	236	24.80	26.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.050	1.208	0.000
S2	-0.050	-0.693	0.000
H3	1.312	-0.866	0.000
H4	-1.106	1.510	0.000
H5	0.443	1.597	0.902
H6	0.443	1.597	-0.902

	C1	S2	H3	H4	H5	H6
C1		1.9014	2.4812	1.0989	1.0989	1.0989
S2	1.9014		1.3722	2.4438	2.5104	2.5104
H3	2.4812	1.3722		3.3903	2.7635	2.7635
H4	1.0989	2.4438	3.3903		1.7947	1.7947
H5	1.0989	2.5104	2.7635	1.7947		1.8041
H6	1.0989	2.5104	2.7635	1.7947	1.8041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	97.246	S2	C1	H4	105.958
S2	C1	H5	110.729	S2	C1	H6	110.729
H4	C1	H5	109.488	H4	C1	H6	109.488
H5	C1	H6	110.346

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)