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	hartrees
Energy at 0K	-477.412117
Energy at 298.15K
HF Energy	-476.806794
Nuclear repulsion energy	107.491162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3118	3009
2	A'	3069	2961
3	A'	3041	2934
4	A'	2708	2613
5	A'	1510	1457
6	A'	1496	1443
7	A'	1413	1364
8	A'	1302	1257
9	A'	1116	1077
10	A'	1001	966
11	A'	864	834
12	A'	687	663
13	A'	302	292
14	A"	3130	3020
15	A"	3107	2998
16	A"	1500	1448
17	A"	1271	1227
18	A"	1046	1009
19	A"	789	761
20	A"	252	243
21	A"	181	175

Atom	x (Å)	y (Å)	z (Å)
C1	1.518	0.677	0.000
C2	0.000	0.834	0.000
S3	-0.757	-0.832	0.000
H4	2.000	1.656	0.000
H5	1.852	0.131	0.884
H6	1.852	0.131	-0.884
H7	-0.329	1.377	0.886
H8	-0.329	1.377	-0.886
H9	-2.034	-0.428	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5260	2.7299	1.0916	1.0916	1.0916	2.1647	2.1647	3.7194
C2	1.5260		1.8299	2.1622	2.1696	2.1696	1.0898	1.0898	2.3933
S3	2.7299	1.8299		3.7138	2.9185	2.9185	2.4178	2.4178	1.3389
H4	1.0916	2.1622	3.7138		1.7695	1.7695	2.5072	2.5072	4.5400
H5	1.0916	2.1696	2.9185	1.7695		1.7682	2.5122	3.0731	4.0242
H6	1.0916	2.1696	2.9185	1.7695	1.7682		3.0731	2.5122	4.0242
H7	2.1647	1.0898	2.4178	2.5072	2.5122	3.0731		1.7718	2.6356
H8	2.1647	1.0898	2.4178	2.5072	3.0731	2.5122	1.7718		2.6356
H9	3.7194	2.3933	1.3389	4.5400	4.0242	4.0242	2.6356	2.6356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.536	C1	C2	H7	110.590
C1	C2	H8	110.590	C2	C1	H4	110.279
C2	C1	H5	110.866	C2	C1	H6	110.866
C2	S3	H9	96.879	S3	C2	H7	109.170
S3	C2	H8	109.170	H4	C1	H5	108.285
H4	C1	H6	108.285	H5	C1	H6	108.167
H7	C2	H8	108.758

All results from a given calculation for CH₃CH₂SH (ethanethiol)

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

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)