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	hartrees
Energy at 0K	-438.007497
Energy at 298.15K	-438.011421
HF Energy	-437.709837
Nuclear repulsion energy	56.502975

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'	3257	3059	6.66	60.22	0.75	0.86
2	A'	3146	2955	25.38	109.67	0.00	0.00
3	A'	2838	2666	9.97	134.37	0.32	0.49
4	A'	1530	1437	8.06	12.23	0.75	0.86
5	A'	1435	1348	8.75	1.85	0.75	0.86
6	A'	1145	1075	22.12	10.77	0.73	0.84
7	A'	836	785	2.14	7.85	0.39	0.56
8	A'	757	711	1.28	16.52	0.23	0.38
9	A"	3253	3055	6.98	69.22	0.75	0.86
10	A"	1508	1416	4.74	11.61	0.75	0.86
11	A"	1019	957	5.19	2.65	0.75	0.86
12	A"	259	243	18.97	0.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.148	0.000
S2	-0.048	-0.664	0.000
H3	1.274	-0.816	0.000
H4	-1.088	1.459	0.000
H5	0.430	1.549	0.888
H6	0.430	1.549	-0.888

	C1	S2	H3	H4	H5	H6
C1		1.8127	2.3675	1.0860	1.0855	1.0855
S2	1.8127		1.3301	2.3647	2.4328	2.4328
H3	2.3675	1.3301		3.2795	2.6639	2.6639
H4	1.0860	2.3647	3.2795		1.7615	1.7615
H5	1.0855	2.4328	2.6639	1.7615		1.7769
H6	1.0855	2.4328	2.6639	1.7615	1.7769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.545	S2	C1	H4	106.627
S2	C1	H5	111.682	S2	C1	H6	111.682
H4	C1	H5	108.419	H4	C1	H6	108.419
H5	C1	H6	109.856

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)