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	hartrees
Energy at 0K	-438.294628
Energy at 298.15K	-438.298514
HF Energy	-437.752500
Nuclear repulsion energy	56.672420

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'	3198	3198	4.48	56.74	0.75	0.85
2	A'	3100	3100	19.01	139.11	0.00	0.00
3	A'	2793	2793	1.03	119.80	0.27	0.42
4	A'	1509	1509	7.13	8.15	0.75	0.86
5	A'	1374	1374	5.20	0.32	0.64	0.78
6	A'	1109	1109	11.35	4.92	0.71	0.83
7	A'	815	815	0.42	7.46	0.27	0.43
8	A'	741	741	1.34	10.87	0.25	0.39
9	A"	3202	3202	4.94	59.80	0.75	0.86
10	A"	1493	1493	4.29	9.26	0.75	0.86
11	A"	989	989	5.05	2.14	0.75	0.86
12	A"	248	248	13.57	3.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	1.145	0.000
S2	-0.047	-0.661	0.000
H3	1.273	-0.816	0.000
H4	-1.089	1.446	0.000
H5	0.428	1.540	0.889
H6	0.428	1.540	-0.889

	C1	S2	H3	H4	H5	H6
C1		1.8068	2.3646	1.0843	1.0828	1.0828
S2	1.8068		1.3295	2.3511	2.4217	2.4217
H3	2.3646	1.3295		3.2709	2.6568	2.6568
H4	1.0843	2.3511	3.2709		1.7609	1.7609
H5	1.0828	2.4217	2.6568	1.7609		1.7782
H6	1.0828	2.4217	2.6568	1.7609	1.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.685	S2	C1	H4	106.113
S2	C1	H5	111.397	S2	C1	H6	111.397
H4	C1	H5	108.695	H4	C1	H6	108.695
H5	C1	H6	110.385

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)