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	hartrees
Energy at 0K	-477.394879
Energy at 298.15K
HF Energy	-476.798519
Nuclear repulsion energy	107.546936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3123	2947
2	A'	3059	2887
3	A'	3040	2869
4	A'	2709	2557
5	A'	1514	1429
6	A'	1500	1416
7	A'	1418	1338
8	A'	1303	1230
9	A'	1116	1053
10	A'	1003	946
11	A'	866	817
12	A'	692	653
13	A'	304	287
14	A"	3129	2954
15	A"	3106	2932
16	A"	1505	1421
17	A"	1271	1200
18	A"	1051	992
19	A"	788	744
20	A"	256	242
21	A"	176	166

Atom	x (Å)	y (Å)	z (Å)
C1	1.518	0.674	0.000
C2	0.000	0.833	0.000
S3	-0.757	-0.830	0.000
H4	1.999	1.654	0.000
H5	1.852	0.128	0.885
H6	1.852	0.128	-0.885
H7	-0.329	1.376	0.887
H8	-0.329	1.376	-0.887
H9	-2.036	-0.430	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5260	2.7269	1.0920	1.0923	1.0923	2.1656	2.1656	3.7214
C2	1.5260		1.8266	2.1613	2.1704	2.1704	1.0913	1.0913	2.3960
S3	2.7269	1.8266		3.7103	2.9173	2.9173	2.4160	2.4160	1.3397
H4	1.0920	2.1613	3.7103		1.7701	1.7701	2.5066	2.5066	4.5418
H5	1.0923	2.1704	2.9173	1.7701		1.7703	2.5126	3.0750	4.0267
H6	1.0923	2.1704	2.9173	1.7701	1.7703		3.0750	2.5126	4.0267
H7	2.1656	1.0913	2.4160	2.5066	2.5126	3.0750		1.7749	2.6395
H8	2.1656	1.0913	2.4160	2.5066	3.0750	2.5126	1.7749		2.6395
H9	3.7214	2.3960	1.3397	4.5418	4.0267	4.0267	2.6395	2.6395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.520	C1	C2	H7	110.565
C1	C2	H8	110.565	C2	C1	H4	110.187
C2	C1	H5	110.887	C2	C1	H6	110.887
C2	S3	H9	97.151	S3	C2	H7	109.174
S3	C2	H8	109.174	H4	C1	H5	108.262
H4	C1	H6	108.262	H5	C1	H6	108.263
H7	C2	H8	108.817

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: MP4/6-311+G(3df,2p)

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: MP4/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)