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	hartrees
Energy at 0K	-438.263261
Energy at 298.15K	-438.267161
HF Energy	-437.726028
Nuclear repulsion energy	55.934990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3187	8.32
2	A'	3086	3086	26.62
3	A'	2744	2744	11.41
4	A'	1493	1493	5.94
5	A'	1369	1369	9.21
6	A'	1108	1108	12.06
7	A'	806	806	0.68
8	A'	732	732	1.77
9	A"	3185	3185	12.20
10	A"	1479	1479	3.60
11	A"	981	981	4.15
12	A"	254	254	15.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.158	0.000
S2	-0.048	-0.670	0.000
H3	1.293	-0.821	0.000
H4	-1.105	1.469	0.000
H5	0.437	1.561	0.902
H6	0.437	1.561	-0.902

	C1	S2	H3	H4	H5	H6
C1		1.8275	2.3906	1.1015	1.1009	1.1009
S2	1.8275		1.3499	2.3855	2.4550	2.4550
H3	2.3906	1.3499		3.3158	2.6875	2.6875
H4	1.1015	2.3855	3.3158		1.7887	1.7887
H5	1.1009	2.4550	2.6875	1.7887		1.8041
H6	1.1009	2.4550	2.6875	1.7887	1.8041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.440	S2	C1	H4	106.414
S2	C1	H5	111.506	S2	C1	H6	111.506
H4	C1	H5	108.615	H4	C1	H6	108.615
H5	C1	H6	110.039

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCSD=FULL/cc-pCVDZ

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-pCVDZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)