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	hartrees
Energy at 0K	-438.032536
Energy at 298.15K	-438.036389
HF Energy	-437.729959
Nuclear repulsion energy	55.883333

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'	3195	3064	5.85	52.22	0.75	0.86
2	A'	3088	2961	22.54	151.56	0.00	0.00
3	A'	2752	2639	1.77	127.79	0.21	0.34
4	A'	1476	1415	6.21	4.36	0.75	0.85
5	A'	1346	1291	7.57	0.35	0.08	0.16
6	A'	1092	1047	9.90	2.01	0.71	0.83
7	A'	801	768	0.38	8.35	0.19	0.32
8	A'	724	694	2.12	15.79	0.19	0.31
9	A"	3198	3067	5.11	60.58	0.75	0.86
10	A"	1465	1404	3.66	3.89	0.75	0.86
11	A"	976	936	4.29	0.11	0.75	0.86
12	A"	233	224	11.88	0.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.162	0.000
S2	-0.048	-0.671	0.000
H3	1.293	-0.826	0.000
H4	-1.104	1.467	0.000
H5	0.435	1.558	0.902
H6	0.435	1.558	-0.902

	C1	S2	H3	H4	H5	H6
C1		1.8327	2.3983	1.0991	1.0977	1.0977
S2	1.8327		1.3498	2.3845	2.4528	2.4528
H3	2.3983	1.3498		3.3174	2.6901	2.6901
H4	1.0991	2.3845	3.3174		1.7865	1.7865
H5	1.0977	2.4528	2.6901	1.7865		1.8048
H6	1.0977	2.4528	2.6901	1.7865	1.8048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.630	S2	C1	H4	106.133
S2	C1	H5	111.163	S2	C1	H6	111.163
H4	C1	H5	108.826	H4	C1	H6	108.826
H5	C1	H6	110.580

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2/aug-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/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)