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	hartrees
Energy at 0K	-477.429877
Energy at 298.15K
HF Energy	-476.784615
Nuclear repulsion energy	107.516672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3172	25.61
2	A'	3124	3124	21.96
3	A'	3092	3092	18.64
4	A'	2790	2790	9.97
5	A'	1529	1529	1.10
6	A'	1517	1517	3.34
7	A'	1449	1449	3.57
8	A'	1363	1363	42.91
9	A'	1146	1146	2.73
10	A'	1030	1030	1.50
11	A'	905	905	2.80
12	A'	714	714	0.63
13	A'	315	315	1.70
14	A"	3186	3186	30.77
15	A"	3163	3163	1.33
16	A"	1515	1515	7.76
17	A"	1304	1304	1.40
18	A"	1090	1090	2.15
19	A"	813	813	3.94
20	A"	271	271	0.66
21	A"	153	153	19.34

Atom	x (Å)	y (Å)	z (Å)
C1	1.519	0.680	0.000
C2	0.000	0.827	0.000
S3	-0.760	-0.832	0.000
H4	1.993	1.665	0.000
H5	1.860	0.137	0.886
H6	1.860	0.137	-0.886
H7	-0.322	1.375	0.887
H8	-0.322	1.375	-0.887
H9	-2.029	-0.416	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5265	2.7350	1.0931	1.0931	1.0931	2.1586	2.1586	3.7135
C2	1.5265		1.8249	2.1621	2.1724	2.1724	1.0909	1.0909	2.3793
S3	2.7350	1.8249		3.7167	2.9300	2.9300	2.4183	2.4183	1.3356
H4	1.0931	2.1621	3.7167		1.7712	1.7712	2.4961	2.4961	4.5283
H5	1.0931	2.1724	2.9300	1.7712		1.7712	2.5083	3.0714	4.0262
H6	1.0931	2.1724	2.9300	1.7712	1.7712		3.0714	2.5083	4.0262
H7	2.1586	1.0909	2.4183	2.4961	2.5083	3.0714		1.7739	2.6280
H8	2.1586	1.0909	2.4183	2.4961	3.0714	2.5083	1.7739		2.6280
H9	3.7135	2.3793	1.3356	4.5283	4.0262	4.0262	2.6280	2.6280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	109.064	C1	C2	H7	110.003
C1	C2	H8	110.003	C2	C1	H4	110.148
C2	C1	H5	110.968	C2	C1	H6	110.968
C2	S3	H9	96.443	S3	C2	H7	109.484
S3	C2	H8	109.484	H4	C1	H5	108.221
H4	C1	H6	108.221	H5	C1	H6	108.219
H7	C2	H8	108.789

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: MP3=FULL/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)