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	hartrees
Energy at 0K	-477.230876
Energy at 298.15K
HF Energy	-476.747235
Nuclear repulsion energy	107.692375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3235	23.06
2	A'	3173	3173	22.91
3	A'	3147	3147	18.00
4	A'	2821	2821	17.57
5	A'	1573	1573	1.07
6	A'	1562	1562	4.02
7	A'	1483	1483	2.85
8	A'	1380	1380	39.24
9	A'	1163	1163	2.78
10	A'	1041	1041	1.40
11	A'	911	911	3.62
12	A'	717	717	0.59
13	A'	315	315	2.13
14	A"	3244	3244	32.50
15	A"	3223	3223	0.12
16	A"	1561	1561	6.35
17	A"	1325	1325	0.39
18	A"	1102	1102	0.54
19	A"	818	818	2.59
20	A"	269	269	0.96
21	A"	176	176	19.23

Atom	x (Å)	y (Å)	z (Å)
C1	1.516	0.688	0.000
C2	0.000	0.825	0.000
S3	-0.757	-0.835	0.000
H4	1.978	1.672	0.000
H5	1.858	0.151	0.881
H6	1.858	0.151	-0.881
H7	-0.326	1.370	0.881
H8	-0.326	1.370	-0.881
H9	-2.023	-0.424	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5221	2.7363	1.0870	1.0871	1.0871	2.1530	2.1530	3.7096
C2	1.5221		1.8251	2.1519	2.1640	2.1640	1.0861	1.0861	2.3777
S3	2.7363	1.8251		3.7106	2.9304	2.9304	2.4138	2.4138	1.3312
H4	1.0870	2.1519	3.7106		1.7618	1.7618	2.4858	2.4858	4.5171
H5	1.0871	2.1640	2.9304	1.7618		1.7621	2.5016	3.0598	4.0211
H6	1.0871	2.1640	2.9304	1.7618	1.7621		3.0598	2.5016	4.0211
H7	2.1530	1.0861	2.4138	2.4858	2.5016	3.0598		1.7619	2.6218
H8	2.1530	1.0861	2.4138	2.4858	3.0598	2.5016	1.7619		2.6218
H9	3.7096	2.3777	1.3312	4.5171	4.0211	4.0211	2.6218	2.6218

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	109.337	C1	C2	H7	110.151
C1	C2	H8	110.151	C2	C1	H4	110.011
C2	C1	H5	110.970	C2	C1	H6	110.970
C2	S3	H9	96.502	S3	C2	H7	109.385
S3	C2	H8	109.385	H4	C1	H5	108.258
H4	C1	H6	108.258	H5	C1	H6	108.283
H7	C2	H8	108.412

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G**

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)