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	hartrees
Energy at 0K	-476.027738
Energy at 298.15K	-476.031556
HF Energy	-475.583052
Nuclear repulsion energy	92.262948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3186	5.77
2	A'	3118	3118	20.39
3	A'	3049	3049	5.53
4	A'	1473	1473	6.07
5	A'	1384	1384	54.10
6	A'	1371	1371	7.70
7	A'	1191	1191	16.31
8	A'	1082	1082	1.80
9	A'	841	841	3.35
10	A'	396	396	1.30
11	A"	3128	3128	5.87
12	A"	1463	1463	8.13
13	A"	1036	1036	6.94
14	A"	760	760	14.09
15	A"	175	175	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.630	0.000
C2	-1.498	0.713	0.000
S3	0.880	-0.746	0.000
H4	0.525	1.598	0.000
H5	-1.954	-0.285	0.000
H6	-1.836	1.278	0.885
H7	-1.836	1.278	-0.885

	C1	C2	S3	H4	H5	H6	H7
C1		1.4999	1.6333	1.1009	2.1574	2.1384	2.1384
C2	1.4999		2.7897	2.2078	1.0970	1.1028	1.1028
S3	1.6333	2.7897		2.3699	2.8715	3.5008	3.5008
H4	1.1009	2.2078	2.3699		3.1127	2.5416	2.5416
H5	2.1574	1.0970	2.8715	3.1127		1.7995	1.7995
H6	2.1384	1.1028	3.5008	2.5416	1.7995		1.7694
H7	2.1384	1.1028	3.5008	2.5416	1.7995	1.7694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.405	C1	C2	H6	109.546
C1	C2	H7	109.546	C2	C1	S3	125.789
C2	C1	H4	115.328	S3	C1	H4	118.883
H5	C2	H6	109.775	H5	C2	H7	109.775
H6	C2	H7	106.678

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2=FULL/daug-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: MP2=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)