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	hartrees
Energy at 0K	-438.502368
Energy at 298.15K	-438.506272
HF Energy	-437.758729
Nuclear repulsion energy	56.563751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3171	7.04
2	A'	3102	3102	21.76
3	A'	2746	2746	3.85
4	A'	1524	1524	6.43
5	A'	1390	1390	5.70
6	A'	1121	1121	10.94
7	A'	814	814	0.48
8	A'	738	738	1.30
9	A"	3176	3176	7.71
10	A"	1511	1511	4.11
11	A"	995	995	3.84
12	A"	252	252	12.45

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.148	0.000
S2	-0.048	-0.663	0.000
H3	1.277	-0.823	0.000
H4	-1.088	1.453	0.000
H5	0.430	1.541	0.888
H6	0.430	1.541	-0.888

	C1	S2	H3	H4	H5	H6
C1		1.8111	2.3748	1.0840	1.0825	1.0825
S2	1.8111		1.3340	2.3574	2.4238	2.4238
H3	2.3748	1.3340		3.2818	2.6638	2.6638
H4	1.0840	2.3574	3.2818		1.7612	1.7612
H5	1.0825	2.4238	2.6638	1.7612		1.7769
H6	1.0825	2.4238	2.6638	1.7612	1.7769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.895	S2	C1	H4	106.301
S2	C1	H5	111.281	S2	C1	H6	111.281
H4	C1	H5	108.758	H4	C1	H6	108.758
H5	C1	H6	110.321

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCSD=FULL/cc-pCVTZ

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: CCSD=FULL/cc-pCVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)