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	hartrees
Energy at 0K	-477.277821
Energy at 298.15K
HF Energy	-476.769619
Nuclear repulsion energy	106.694347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3154	23.76
2	A'	3107	3107	19.36
3	A'	3070	3070	19.48
4	A'	2738	2738	4.65
5	A'	1499	1499	1.60
6	A'	1491	1491	2.35
7	A'	1413	1413	2.77
8	A'	1307	1307	30.89
9	A'	1122	1122	1.12
10	A'	1009	1009	2.61
11	A'	866	866	1.19
12	A'	685	685	1.27
13	A'	307	307	1.90
14	A"	3171	3171	21.45
15	A"	3147	3147	3.94
16	A"	1490	1490	7.67
17	A"	1271	1271	0.32
18	A"	1050	1050	0.53
19	A"	788	788	2.28
20	A"	252	252	0.72
21	A"	164	164	14.28

Atom	x (Å)	y (Å)	z (Å)
C1	1.525	0.690	0.000
C2	0.000	0.840	0.000
S3	-0.760	-0.842	0.000
H4	2.002	1.682	0.000
H5	1.866	0.143	0.892
H6	1.866	0.143	-0.892
H7	-0.334	1.382	0.895
H8	-0.334	1.382	-0.895
H9	-2.050	-0.441	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5322	2.7510	1.1008	1.1008	1.1008	2.1760	2.1760	3.7494
C2	1.5322		1.8454	2.1721	2.1825	2.1825	1.0983	1.0983	2.4171
S3	2.7510	1.8454		3.7416	2.9432	2.9432	2.4350	2.4350	1.3504
H4	1.1008	2.1721	3.7416		1.7841	1.7841	2.5194	2.5194	4.5745
H5	1.1008	2.1825	2.9432	1.7841		1.7846	2.5250	3.0933	4.0583
H6	1.1008	2.1825	2.9432	1.7841	1.7846		3.0933	2.5250	4.0583
H7	2.1760	1.0983	2.4350	2.5194	2.5250	3.0933		1.7893	2.6590
H8	2.1760	1.0983	2.4350	2.5194	3.0933	2.5250	1.7893		2.6590
H9	3.7494	2.4171	1.3504	4.5745	4.0583	4.0583	2.6590	2.6590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.716	C1	C2	H7	110.538
C1	C2	H8	110.538	C2	C1	H4	110.087
C2	C1	H5	110.909	C2	C1	H6	110.909
C2	S3	H9	97.067	S3	C2	H7	108.965
S3	C2	H8	108.965	H4	C1	H5	108.270
H4	C1	H6	108.270	H5	C1	H6	108.307
H7	C2	H8	109.085

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: MP3=FULL/aug-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=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)