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	hartrees
Energy at 0K	-437.952668
Energy at 298.15K	-437.956596
HF Energy	-437.699982
Nuclear repulsion energy	56.321820

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'	3237	3052	5.73	60.04	0.75	0.86
2	A'	3133	2955	20.69	98.70	0.01	0.01
3	A'	2790	2631	16.19	128.43	0.39	0.57
4	A'	1554	1465	8.58	17.72	0.75	0.86
5	A'	1448	1365	6.93	4.43	0.52	0.69
6	A'	1152	1086	21.98	17.38	0.71	0.83
7	A'	837	790	1.64	8.50	0.57	0.73
8	A'	759	715	1.86	12.71	0.28	0.44
9	A"	3234	3050	7.89	65.18	0.75	0.86
10	A"	1540	1452	5.80	19.70	0.75	0.86
11	A"	1033	974	6.63	7.49	0.75	0.86
12	A"	263	248	20.27	4.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.151	0.000
S2	-0.048	-0.666	0.000
H3	1.283	-0.823	0.000
H4	-1.093	1.463	0.000
H5	0.433	1.552	0.893
H6	0.433	1.552	-0.893

	C1	S2	H3	H4	H5	H6
C1		1.8161	2.3810	1.0906	1.0903	1.0903
S2	1.8161		1.3407	2.3712	2.4384	2.4384
H3	2.3810	1.3407		3.2976	2.6766	2.6766
H4	1.0906	2.3712	3.2976		1.7696	1.7696
H5	1.0903	2.4384	2.6766	1.7696		1.7851
H6	1.0903	2.4384	2.6766	1.7696	1.7851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.761	S2	C1	H4	106.647
S2	C1	H5	111.615	S2	C1	H6	111.615
H4	C1	H5	108.463	H4	C1	H6	108.463
H5	C1	H6	109.890

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)