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	hartrees
Energy at 0K	-474.624921
Energy at 298.15K
HF Energy	-474.346187
Nuclear repulsion energy	104.770594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3146	23.78
2	A'	3128	3128	6.24
3	A'	3079	3079	13.69
4	A'	2425	2425	39.80
5	A'	1595	1595	3.94
6	A'	1571	1571	4.26
7	A'	1499	1499	7.30
8	A'	1359	1359	38.70
9	A'	1132	1132	2.40
10	A'	999	999	5.04
11	A'	841	841	5.37
12	A'	627	627	1.71
13	A'	308	308	3.53
14	A"	3190	3190	18.06
15	A"	3149	3149	7.58
16	A"	1588	1588	7.82
17	A"	1338	1338	0.57
18	A"	1084	1084	0.02
19	A"	817	817	4.94
20	A"	253	253	1.01
21	A"	172	172	26.34

Atom	x (Å)	y (Å)	z (Å)
C1	1.536	0.739	0.000
C2	0.000	0.879	0.000
S3	-0.761	-0.884	0.000
H4	1.998	1.733	0.000
H5	1.871	0.196	0.890
H6	1.871	0.196	-0.890
H7	-0.347	1.399	0.894
H8	-0.347	1.399	-0.894
H9	-2.081	-0.489	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5420	2.8121	1.0963	1.0951	1.0951	2.1866	2.1866	3.8191
C2	1.5420		1.9198	2.1726	2.1817	2.1817	1.0913	1.0913	2.4900
S3	2.8121	1.9198		3.8024	2.9810	2.9810	2.4861	2.4861	1.3776
H4	1.0963	2.1726	3.8024		1.7807	1.7807	2.5319	2.5319	4.6444
H5	1.0951	2.1817	2.9810	1.7807		1.7796	2.5238	3.0907	4.1085
H6	1.0951	2.1817	2.9810	1.7807	1.7796		3.0907	2.5238	4.1085
H7	2.1866	1.0913	2.4861	2.5319	2.5238	3.0907		1.7886	2.7143
H8	2.1866	1.0913	2.4861	2.5319	3.0907	2.5238	1.7886		2.7143
H9	3.8191	2.4900	1.3776	4.6444	4.1085	4.1085	2.7143	2.7143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.149	C1	C2	H7	111.118
C1	C2	H8	111.118	C2	C1	H4	109.716
C2	C1	H5	110.502	C2	C1	H6	110.502
C2	S3	H9	96.692	S3	C2	H7	108.136
S3	C2	H8	108.136	H4	C1	H5	108.695
H4	C1	H6	108.695	H5	C1	H6	108.683
H7	C2	H8	110.069

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: MP3=FULL/3-21G

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=FULL/3-21G

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)