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	hartrees
Energy at 0K	-477.266645
Energy at 298.15K
HF Energy	-476.770043
Nuclear repulsion energy	106.563696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	3145	24.73
2	A'	3098	3098	19.38
3	A'	3062	3062	19.76
4	A'	2729	2729	4.48
5	A'	1497	1497	1.65
6	A'	1483	1483	2.42
7	A'	1410	1410	2.80
8	A'	1305	1305	30.90
9	A'	1119	1119	1.07
10	A'	1007	1007	2.72
11	A'	863	863	1.18
12	A'	684	684	1.36
13	A'	306	306	1.88
14	A"	3162	3162	22.44
15	A"	3138	3138	3.93
16	A"	1488	1488	7.65
17	A"	1268	1268	0.29
18	A"	1050	1050	0.53
19	A"	788	788	2.24
20	A"	251	251	0.69
21	A"	165	165	13.60

Atom	x (Å)	y (Å)	z (Å)
C1	1.527	0.693	0.000
C2	0.000	0.840	0.000
S3	-0.761	-0.844	0.000
H4	2.002	1.687	0.000
H5	1.869	0.147	0.892
H6	1.869	0.147	-0.892
H7	-0.335	1.383	0.895
H8	-0.335	1.383	-0.895
H9	-2.051	-0.440	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5337	2.7565	1.1013	1.1012	1.1012	2.1777	2.1777	3.7531
C2	1.5337		1.8480	2.1737	2.1844	2.1844	1.0990	1.0990	2.4177
S3	2.7565	1.8480		3.7470	2.9492	2.9492	2.4372	2.4372	1.3518
H4	1.1013	2.1737	3.7470		1.7850	1.7850	2.5209	2.5209	4.5771
H5	1.1012	2.1844	2.9492	1.7850		1.7848	2.5272	3.0954	4.0634
H6	1.1012	2.1844	2.9492	1.7850	1.7848		3.0954	2.5272	4.0634
H7	2.1777	1.0990	2.4372	2.5209	2.5272	3.0954		1.7900	2.6584
H8	2.1777	1.0990	2.4372	2.5209	3.0954	2.5272	1.7900		2.6584
H9	3.7531	2.4177	1.3518	4.5771	4.0634	4.0634	2.6584	2.6584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.842	C1	C2	H7	110.529
C1	C2	H8	110.529	C2	C1	H4	110.078
C2	C1	H5	110.927	C2	C1	H6	110.927
C2	S3	H9	96.927	S3	C2	H7	108.924
S3	C2	H8	108.924	H4	C1	H5	108.276
H4	C1	H6	108.276	H5	C1	H6	108.266
H7	C2	H8	109.056

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: MP3/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)