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	hartrees
Energy at 0K	-477.310104
Energy at 298.15K
HF Energy	-476.807202
Nuclear repulsion energy	108.185834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	3209	25.06
2	A'	3165	3165	18.82
3	A'	3133	3133	19.14
4	A'	2818	2818	3.74
5	A'	1563	1563	1.99
6	A'	1553	1553	2.89
7	A'	1473	1473	2.98
8	A'	1363	1363	29.40
9	A'	1161	1161	1.79
10	A'	1038	1038	2.23
11	A'	906	906	1.41
12	A'	720	720	0.89
13	A'	314	314	1.80
14	A"	3225	3225	25.78
15	A"	3201	3201	2.11
16	A"	1554	1554	7.95
17	A"	1322	1322	0.41
18	A"	1091	1091	0.42
19	A"	818	818	2.44
20	A"	262	262	1.75
21	A"	189	189	15.26

Atom	x (Å)	y (Å)	z (Å)
C1	1.510	0.676	0.000
C2	0.000	0.825	0.000
S3	-0.754	-0.827	0.000
H4	1.983	1.652	0.000
H5	1.847	0.137	0.878
H6	1.847	0.137	-0.878
H7	-0.327	1.365	0.879
H8	-0.327	1.365	-0.879
H9	-2.023	-0.437	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5177	2.7175	1.0839	1.0839	1.0839	2.1496	2.1496	3.7048
C2	1.5177		1.8153	2.1482	2.1577	2.1577	1.0818	1.0818	2.3846
S3	2.7175	1.8153		3.6919	2.9092	2.9092	2.3993	2.3993	1.3277
H4	1.0839	2.1482	3.6919		1.7562	1.7562	2.4874	2.4874	4.5178
H5	1.0839	2.1577	2.9092	1.7562		1.7557	2.4966	3.0526	4.0099
H6	1.0839	2.1577	2.9092	1.7562	1.7557		3.0526	2.4966	4.0099
H7	2.1496	1.0818	2.3993	2.4874	2.4966	3.0526		1.7573	2.6263
H8	2.1496	1.0818	2.3993	2.4874	3.0526	2.4966	1.7573		2.6263
H9	3.7048	2.3846	1.3277	4.5178	4.0099	4.0099	2.6263	2.6263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.914	C1	C2	H7	110.452
C1	C2	H8	110.452	C2	C1	H4	110.209
C2	C1	H5	110.969	C2	C1	H6	110.969
C2	S3	H9	97.482	S3	C2	H7	109.186
S3	C2	H8	109.186	H4	C1	H5	108.213
H4	C1	H6	108.213	H5	C1	H6	108.169
H7	C2	H8	108.628

All results from a given calculation for CH₃CH₂SH (ethanethiol)

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

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)