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	hartrees
Energy at 0K	-477.386858
Energy at 298.15K
HF Energy	-476.807064
Nuclear repulsion energy	107.751091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3163	21.32
2	A'	3117	3117	17.62
3	A'	3084	3084	17.17
4	A'	2756	2756	3.29
5	A'	1526	1526	2.05
6	A'	1515	1515	2.63
7	A'	1431	1431	3.25
8	A'	1322	1322	28.18
9	A'	1131	1131	1.54
10	A'	1015	1015	2.38
11	A'	878	878	1.20
12	A'	701	701	0.74
13	A'	306	306	1.74
14	A"	3177	3177	22.35
15	A"	3154	3154	1.98
16	A"	1516	1516	8.09
17	A"	1288	1288	0.47
18	A"	1062	1062	0.42
19	A"	799	799	2.50
20	A"	255	255	1.40
21	A"	180	180	14.70

Atom	x (Å)	y (Å)	z (Å)
C1	1.515	0.676	0.000
C2	0.000	0.831	0.000
S3	-0.756	-0.830	0.000
H4	1.994	1.654	0.000
H5	1.850	0.133	0.881
H6	1.850	0.133	-0.881
H7	-0.327	1.372	0.883
H8	-0.327	1.372	-0.883
H9	-2.030	-0.431	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5234	2.7257	1.0882	1.0884	1.0884	2.1585	2.1585	3.7140
C2	1.5234		1.8247	2.1571	2.1651	2.1651	1.0861	1.0861	2.3898
S3	2.7257	1.8247		3.7057	2.9150	2.9150	2.4106	2.4106	1.3343
H4	1.0882	2.1571	3.7057		1.7639	1.7639	2.4994	2.4994	4.5316
H5	1.0884	2.1651	2.9150	1.7639		1.7628	2.5054	3.0643	4.0184
H6	1.0884	2.1651	2.9150	1.7639	1.7628		3.0643	2.5054	4.0184
H7	2.1585	1.0861	2.4106	2.4994	2.5054	3.0643		1.7660	2.6321
H8	2.1585	1.0861	2.4106	2.4994	3.0643	2.5054	1.7660		2.6321
H9	3.7140	2.3898	1.3343	4.5316	4.0184	4.0184	2.6321	2.6321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.669	C1	C2	H7	110.503
C1	C2	H8	110.503	C2	C1	H4	110.265
C2	C1	H5	110.892	C2	C1	H6	110.892
C2	S3	H9	97.096	S3	C2	H7	109.180
S3	C2	H8	109.180	H4	C1	H5	108.269
H4	C1	H6	108.269	H5	C1	H6	108.160
H7	C2	H8	108.781

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: MP3/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 CH3CH2SH (ethanethiol)

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

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)