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	hartrees
Energy at 0K	-476.047037
Energy at 298.15K	-476.050861
HF Energy	-475.568579
Nuclear repulsion energy	92.915423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3048	2.59
2	A'	3143	2969	12.91
3	A'	3091	2919	1.66
4	A'	1507	1423	4.45
5	A'	1408	1330	23.38
6	A'	1393	1316	39.37
7	A'	1197	1130	17.75
8	A'	1095	1034	2.48
9	A'	847	800	3.05
10	A'	397	375	1.52
11	A"	3168	2993	2.79
12	A"	1500	1417	8.41
13	A"	1057	998	3.01
14	A"	773	730	13.77
15	A"	176	167	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.624	0.000
C2	-1.493	0.701	0.000
S3	0.878	-0.735	0.000
H4	0.513	1.588	0.000
H5	-1.942	-0.290	0.000
H6	-1.833	1.260	0.877
H7	-1.833	1.260	-0.877

	C1	C2	S3	H4	H5	H6	H7
C1		1.4949	1.6181	1.0926	2.1463	2.1294	2.1294
C2	1.4949		2.7725	2.1935	1.0883	1.0941	1.0941
S3	1.6181	2.7725		2.3521	2.8554	3.4789	3.4789
H4	1.0926	2.1935	2.3521		3.0914	2.5264	2.5264
H5	2.1463	1.0883	2.8554	3.0914		1.7841	1.7841
H6	2.1294	1.0941	3.4789	2.5264	1.7841		1.7540
H7	2.1294	1.0941	3.4789	2.5264	1.7841	1.7540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.403	C1	C2	H6	109.701
C1	C2	H7	109.701	C2	C1	S3	125.851
C2	C1	H4	115.042	S3	C1	H4	119.107
H5	C2	H6	109.674	H5	C2	H7	109.674
H6	C2	H7	106.568

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)