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	hartrees
Energy at 0K	-477.159869
Energy at 298.15K	-477.166240
HF Energy	-476.747315
Nuclear repulsion energy	107.778196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	2986	26.43
2	A'	3198	2934	24.10
3	A'	3170	2909	20.47
4	A'	2852	2617	17.53
5	A'	1591	1460	1.04
6	A'	1580	1450	4.00
7	A'	1504	1380	2.62
8	A'	1398	1283	41.40
9	A'	1179	1082	2.95
10	A'	1051	965	1.64
11	A'	925	849	3.77
12	A'	725	666	1.04
13	A'	319	293	2.25
14	A"	3266	2997	35.49
15	A"	3245	2978	0.01
16	A"	1580	1450	6.26
17	A"	1343	1232	0.35
18	A"	1117	1025	0.46
19	A"	828	760	2.50
20	A"	271	248	1.20
21	A"	184	169	19.84

Atom	x (Å)	y (Å)	z (Å)
C1	1.515	0.690	0.000
C2	0.000	0.823	0.000
S3	-0.756	-0.835	0.000
H4	1.974	1.674	0.000
H5	1.859	0.155	0.880
H6	1.859	0.155	-0.880
H7	-0.328	1.367	0.879
H8	-0.328	1.367	-0.879
H9	-2.024	-0.435	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5208	2.7362	1.0858	1.0857	1.0857	2.1512	2.1512	3.7133
C2	1.5208		1.8231	2.1496	2.1628	2.1628	1.0845	1.0845	2.3832
S3	2.7362	1.8231		3.7086	2.9323	2.9323	2.4097	2.4097	1.3287
H4	1.0858	2.1496	3.7086		1.7589	1.7589	2.4834	2.4834	4.5202
H5	1.0857	2.1628	2.9323	1.7589		1.7596	2.5004	3.0572	4.0250
H6	1.0857	2.1628	2.9323	1.7589	1.7596		3.0572	2.5004	4.0250
H7	2.1512	1.0845	2.4097	2.4834	2.5004	3.0572		1.7589	2.6262
H8	2.1512	1.0845	2.4097	2.4834	3.0572	2.5004	1.7589		2.6262
H9	3.7133	2.3832	1.3287	4.5202	4.0250	4.0250	2.6262	2.6262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	109.489	C1	C2	H7	110.187
C1	C2	H8	110.187	C2	C1	H4	109.988
C2	C1	H5	111.048	C2	C1	H6	111.048
C2	S3	H9	97.001	S3	C2	H7	109.295
S3	C2	H8	109.295	H4	C1	H5	108.195
H4	C1	H6	108.195	H5	C1	H6	108.267
H7	C2	H8	108.364

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: CISD/6-31G**

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: CISD/6-31G**

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)