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	hartrees
Energy at 0K	-23.362475
Energy at 298.15K	-23.366213
HF Energy	-23.148969
Nuclear repulsion energy	34.386094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3053	39.86
2	A'	3123	3017	31.22
3	A'	3025	2923	21.77
4	A'	1509	1458	10.98
5	A'	1443	1394	11.09
6	A'	1391	1344	19.96
7	A'	1169	1129	13.32
8	A'	1104	1067	5.10
9	A'	808	780	4.18
10	A'	386	373	0.42
11	A"	3113	3008	35.60
12	A"	1497	1447	16.43
13	A"	1069	1033	6.32
14	A"	761	735	31.02
15	A"	144	139	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.658	0.000
C2	-1.539	0.765	0.000
S3	0.903	-0.786	0.000
H4	0.556	1.618	0.000
H5	-2.009	-0.238	0.000
H6	-1.877	1.331	0.897
H7	-1.877	1.331	-0.897

	C1	C2	S3	H4	H5	H6	H7
C1		1.5425	1.7027	1.1094	2.1997	2.1866	2.1866
C2	1.5425		2.8923	2.2617	1.1077	1.1132	1.1132
S3	1.7027	2.8923		2.4288	2.9627	3.6073	3.6073
H4	1.1094	2.2617	2.4288		3.1660	2.6090	2.6090
H5	2.1997	1.1077	2.9627	3.1660		1.8119	1.8119
H6	2.1866	1.1132	3.6073	2.6090	1.8119		1.7937
H7	2.1866	1.1132	3.6073	2.6090	1.8119	1.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.142	C1	C2	H6	109.790
C1	C2	H7	109.790	C2	C1	S3	125.986
C2	C1	H4	116.094	S3	C1	H4	117.920
H5	C2	H6	109.346	H5	C2	H7	109.346
H6	C2	H7	107.345

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2/CEP-31G

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 CH3CHS (Thioacetaldehyde)

using model chemistry: MP2/CEP-31G

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)