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	hartrees
Energy at 0K	-477.288520
Energy at 298.15K
HF Energy	-476.769521
Nuclear repulsion energy	106.280528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3101	3101
2	A'	3048	3048
3	A'	3018	3018
4	A'	2683	2683
5	A'	1481	1481
6	A'	1465	1465
7	A'	1392	1392
8	A'	1285	1285
9	A'	1103	1103
10	A'	992	992
11	A'	849	849
12	A'	668	668
13	A'	301	301
14	A"	3114	3114
15	A"	3092	3092
16	A"	1474	1474
17	A"	1251	1251
18	A"	1035	1035
19	A"	778	778
20	A"	249	249
21	A"	162	162

Atom	x (Å)	y (Å)	z (Å)
C1	1.529	0.694	0.000
C2	0.000	0.844	0.000
S3	-0.762	-0.847	0.000
H4	2.008	1.690	0.000
H5	1.871	0.145	0.895
H6	1.871	0.145	-0.895
H7	-0.337	1.387	0.899
H8	-0.337	1.387	-0.899
H9	-2.055	-0.436	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5366	2.7616	1.1046	1.1046	1.1046	2.1843	2.1843	3.7587
C2	1.5366		1.8542	2.1791	2.1889	2.1889	1.1029	1.1029	2.4212
S3	2.7616	1.8542		3.7562	2.9532	2.9532	2.4448	2.4448	1.3564
H4	1.1046	2.1791	3.7562		1.7906	1.7906	2.5298	2.5298	4.5860
H5	1.1046	2.1889	2.9532	1.7906		1.7910	2.5336	3.1045	4.0691
H6	1.1046	2.1889	2.9532	1.7906	1.7910		3.1045	2.5336	4.0691
H7	2.1843	1.1029	2.4448	2.5298	2.5336	3.1045		1.7972	2.6615
H8	2.1843	1.1029	2.4448	2.5298	3.1045	2.5336	1.7972		2.6615
H9	3.7587	2.4212	1.3564	4.5860	4.0691	4.0691	2.6615	2.6615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.701	C1	C2	H7	110.618
C1	C2	H8	110.618	C2	C1	H4	110.109
C2	C1	H5	110.875	C2	C1	H6	110.875
C2	S3	H9	96.674	S3	C2	H7	108.866
S3	C2	H8	108.866	H4	C1	H5	108.288
H4	C1	H6	108.288	H5	C1	H6	108.318
H7	C2	H8	109.132

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: QCISD(T)/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: QCISD(T)/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)