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	hartrees
Energy at 0K	-438.270335
Energy at 298.15K	-438.274241
HF Energy	-437.758845
Nuclear repulsion energy	56.632866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3197	5.92
2	A'	3126	3126	19.94
3	A'	2760	2760	2.87
4	A'	1525	1525	6.79
5	A'	1389	1389	5.06
6	A'	1122	1122	11.48
7	A'	818	818	0.42
8	A'	742	742	1.21
9	A"	3202	3202	6.51
10	A"	1511	1511	4.33
11	A"	994	994	4.28
12	A"	254	254	12.61

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	1.147	0.000
S2	-0.047	-0.662	0.000
H3	1.274	-0.820	0.000
H4	-1.087	1.450	0.000
H5	0.428	1.540	0.887
H6	0.428	1.540	-0.887

	C1	S2	H3	H4	H5	H6
C1		1.8097	2.3701	1.0823	1.0808	1.0808
S2	1.8097		1.3306	2.3538	2.4217	2.4217
H3	2.3701	1.3306		3.2749	2.6598	2.6598
H4	1.0823	2.3538	3.2749		1.7580	1.7580
H5	1.0808	2.4217	2.6598	1.7580		1.7749
H6	1.0808	2.4217	2.6598	1.7580	1.7749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.821	S2	C1	H4	106.222
S2	C1	H5	111.314	S2	C1	H6	111.314
H4	C1	H5	108.726	H4	C1	H6	108.726
H5	C1	H6	110.388

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP3=FULL/cc-pV(T+d)Z

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: MP3=FULL/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)