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	hartrees
Energy at 0K	-18.014606
Energy at 298.15K	-18.018509
HF Energy	-17.751048
Nuclear repulsion energy	21.354437

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'	3204	3053	10.71	64.75	0.75	0.86
2	A'	3090	2944	30.94	120.76	0.00	0.01
3	A'	2719	2591	9.01	140.34	0.34	0.51
4	A'	1526	1454	8.30	13.64	0.75	0.86
5	A'	1420	1353	9.26	2.49	0.60	0.75
6	A'	1124	1071	16.82	13.47	0.71	0.83
7	A'	816	777	1.72	8.17	0.42	0.59
8	A'	745	710	2.54	16.63	0.24	0.39
9	A"	3200	3049	12.84	67.77	0.75	0.86
10	A"	1513	1441	6.48	13.34	0.75	0.86
11	A"	1006	959	5.40	6.35	0.75	0.86
12	A"	256	244	20.34	2.83	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	-0.824	0.000
H4	-1.096	1.469	0.000
H5	0.434	1.558	0.895
H6	0.434	1.558	-0.895

	C1	S2	H3	H4	H5	H6
C1		1.8321	2.3963	1.0919	1.0915	1.0915
S2	1.8321		1.3504	2.3823	2.4496	2.4496
H3	2.3963	1.3504		3.3115	2.6855	2.6855
H4	1.0919	2.3823	3.3115		1.7753	1.7753
H5	1.0915	2.4496	2.6855	1.7753		1.7901
H6	1.0915	2.4496	2.6855	1.7753	1.7901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.523	S2	C1	H4	106.352
S2	C1	H5	111.293	S2	C1	H6	111.293
H4	C1	H5	108.799	H4	C1	H6	108.799
H5	C1	H6	110.173

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)