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	hartrees
Energy at 0K	-438.045970
Energy at 298.15K	-438.049828
HF Energy	-437.730484
Nuclear repulsion energy	55.956760

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'	3197	3197	5.86	52.73	0.75	0.86
2	A'	3089	3089	22.95	156.36	0.00	0.00
3	A'	2761	2761	1.69	131.06	0.20	0.33
4	A'	1478	1478	6.37	4.43	0.75	0.86
5	A'	1348	1348	7.09	0.57	0.04	0.08
6	A'	1092	1092	9.98	1.88	0.65	0.79
7	A'	801	801	0.36	8.13	0.17	0.30
8	A'	725	725	2.00	15.64	0.18	0.30
9	A"	3201	3201	5.12	60.91	0.75	0.86
10	A"	1465	1465	3.53	4.16	0.75	0.86
11	A"	974	974	4.05	0.12	0.75	0.86
12	A"	235	235	11.43	0.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.161	0.000
S2	-0.048	-0.670	0.000
H3	1.291	-0.826	0.000
H4	-1.103	1.464	0.000
H5	0.434	1.556	0.902
H6	0.434	1.556	-0.902

	C1	S2	H3	H4	H5	H6
C1		1.8302	2.3955	1.0979	1.0965	1.0965
S2	1.8302		1.3479	2.3805	2.4497	2.4497
H3	2.3955	1.3479		3.3130	2.6875	2.6875
H4	1.0979	2.3805	3.3130		1.7845	1.7845
H5	1.0965	2.4497	2.6875	1.7845		1.8033
H6	1.0965	2.4497	2.6875	1.7845	1.8033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.659	S2	C1	H4	106.065
S2	C1	H5	111.165	S2	C1	H6	111.165
H4	C1	H5	108.828	H4	C1	H6	108.828
H5	C1	H6	110.636

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2=FULL/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)