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	hartrees
Energy at 0K	-438.284698
Energy at 298.15K	-438.288706
HF Energy	-437.759924
Nuclear repulsion energy	56.633462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3189	5.03
2	A'	3122	3122	19.32
3	A'	2759	2759	1.65
4	A'	1529	1529	7.22
5	A'	1387	1387	4.44
6	A'	1122	1122	10.74
7	A'	819	819	0.32
8	A'	743	743	1.17
9	A"	3195	3195	4.23
10	A"	1514	1514	4.48
11	A"	998	998	3.87
12	A"	241	241	10.42

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.147	0.000
S2	-0.048	-0.662	0.000
H3	1.274	-0.817	0.000
H4	-1.088	1.452	0.000
H5	0.431	1.536	0.889
H6	0.431	1.536	-0.889

	C1	S2	H3	H4	H5	H6
C1		1.8091	2.3677	1.0839	1.0823	1.0823
S2	1.8091		1.3308	2.3560	2.4191	2.4191
H3	2.3677	1.3308		3.2754	2.6536	2.6536
H4	1.0839	2.3560	3.2754		1.7618	1.7618
H5	1.0823	2.4191	2.6536	1.7618		1.7789
H6	1.0823	2.4191	2.6536	1.7618	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.705	S2	C1	H4	106.339
S2	C1	H5	111.070	S2	C1	H6	111.070
H4	C1	H5	108.845	H4	C1	H6	108.845
H5	C1	H6	110.535

All results from a given calculation for CH₃SH (Methanethiol)

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

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)