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	hartrees
Energy at 0K	-476.043656
Energy at 298.15K	-476.047478
HF Energy	-475.582328
Nuclear repulsion energy	92.190499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3049	9.17
2	A'	3120	3009	15.84
3	A'	3035	2927	8.22
4	A'	1481	1428	6.12
5	A'	1406	1356	48.21
6	A'	1386	1337	10.65
7	A'	1195	1152	18.92
8	A'	1091	1052	1.78
9	A'	848	818	2.08
10	A'	398	384	1.61
11	A"	3100	2990	9.44
12	A"	1467	1415	7.01
13	A"	1046	1009	6.77
14	A"	761	734	13.91
15	A"	174	168	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.628	0.000
C2	-1.505	0.707	0.000
S3	0.885	-0.740	0.000
H4	0.522	1.598	0.000
H5	-1.957	-0.296	0.000
H6	-1.848	1.269	0.888
H7	-1.848	1.269	-0.888

	C1	C2	S3	H4	H5	H6	H7
C1		1.5068	1.6295	1.1021	2.1643	2.1481	2.1481
C2	1.5068		2.7936	2.2144	1.0998	1.1057	1.1057
S3	1.6295	2.7936		2.3668	2.8769	3.5064	3.5064
H4	1.1021	2.2144	2.3668		3.1202	2.5521	2.5521
H5	2.1643	1.0998	2.8769	3.1202		1.8027	1.8027
H6	2.1481	1.1057	3.5064	2.5521	1.8027		1.7758
H7	2.1481	1.1057	3.5064	2.5521	1.8027	1.7758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.307	C1	C2	H6	109.658
C1	C2	H7	109.658	C2	C1	S3	125.891
C2	C1	H4	115.282	S3	C1	H4	118.827
H5	C2	H6	109.641	H5	C2	H7	109.641
H6	C2	H7	106.831

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCD/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 CH3CHS (Thioacetaldehyde)

using model chemistry: CCD/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)