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	hartrees
Energy at 0K	-476.157505
Energy at 298.15K	-476.161346
HF Energy	-475.617206
Nuclear repulsion energy	93.225736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3191	7.80
2	A'	3149	3149	13.80
3	A'	3068	3068	5.30
4	A'	1507	1507	5.63
5	A'	1420	1420	43.55
6	A'	1407	1407	18.44
7	A'	1202	1202	22.71
8	A'	1103	1103	2.34
9	A'	856	856	2.05
10	A'	399	399	1.86
11	A"	3128	3128	7.47
12	A"	1498	1498	8.33
13	A"	1068	1068	5.32
14	A"	780	780	13.87
15	A"	174	174	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.620	0.000
C2	-1.493	0.693	0.000
S3	0.879	-0.729	0.000
H4	0.507	1.581	0.000
H5	-1.936	-0.297	0.000
H6	-1.835	1.248	0.875
H7	-1.835	1.248	-0.875

	C1	C2	S3	H4	H5	H6	H7
C1		1.4947	1.6096	1.0866	2.1421	2.1279	2.1279
C2	1.4947		2.7651	2.1880	1.0851	1.0912	1.0912
S3	1.6096	2.7651		2.3395	2.8472	3.4693	3.4693
H4	1.0866	2.1880	2.3395		3.0814	2.5224	2.5224
H5	2.1421	1.0851	2.8472	3.0814		1.7786	1.7786
H6	2.1279	1.0912	3.4693	2.5224	1.7786		1.7509
H7	2.1279	1.0912	3.4693	2.5224	1.7786	1.7509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.273	C1	C2	H6	109.766
C1	C2	H7	109.766	C2	C1	S3	125.895
C2	C1	H4	114.995	S3	C1	H4	119.110
H5	C2	H6	109.616	H5	C2	H7	109.616
H6	C2	H7	106.695

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP3/cc-pV(T+d)Z

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: MP3/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)