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	hartrees
Energy at 0K	-474.227953
Energy at 298.15K	-474.231781
HF Energy	-474.118849
Nuclear repulsion energy	92.454588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3180	7.63
2	A'	3117	3117	17.12
3	A'	3058	3058	2.23
4	A'	1561	1561	5.99
5	A'	1468	1468	11.49
6	A'	1427	1427	51.85
7	A'	1164	1164	47.22
8	A'	1127	1127	1.07
9	A'	834	834	1.14
10	A'	408	408	1.39
11	A"	3106	3106	6.90
12	A"	1559	1559	12.77
13	A"	1099	1099	1.34
14	A"	796	796	22.40
15	A"	164	164	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.627	0.000
C2	-1.506	0.699	0.000
S3	0.887	-0.735	0.000
H4	0.499	1.597	0.000
H5	-1.943	-0.299	0.000
H6	-1.851	1.253	0.882
H7	-1.851	1.253	-0.882

	C1	C2	S3	H4	H5	H6	H7
C1		1.5080	1.6252	1.0912	2.1529	2.1440	2.1440
C2	1.5080		2.7898	2.1976	1.0900	1.0970	1.0970
S3	1.6252	2.7898		2.3643	2.8633	3.4964	3.4964
H4	1.0912	2.1976	2.3643		3.0926	2.5344	2.5344
H5	2.1529	1.0900	2.8633	3.0926		1.7874	1.7874
H6	2.1440	1.0970	3.4964	2.5344	1.7874		1.7642
H7	2.1440	1.0970	3.4964	2.5344	1.7874	1.7642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.901	C1	C2	H6	109.774
C1	C2	H7	109.774	C2	C1	S3	125.800
C2	C1	H4	114.495	S3	C1	H4	119.705
H5	C2	H6	109.632	H5	C2	H7	109.632
H6	C2	H7	107.048

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: B2PLYP=FULL/3-21G*

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: B2PLYP=FULL/3-21G*

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)