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	hartrees
Energy at 0K	-476.432969
Energy at 298.15K	-476.436775
HF Energy	-476.346957
Nuclear repulsion energy	91.088755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3183	17.19
2	A'	3158	3158	10.06
3	A'	3045	3045	4.99
4	A'	1537	1537	7.32
5	A'	1464	1464	14.57
6	A'	1420	1420	46.14
7	A'	1172	1172	26.17
8	A'	1115	1115	18.08
9	A'	818	818	0.07
10	A'	401	401	1.66
11	A"	3104	3104	10.24
12	A"	1533	1533	14.04
13	A"	1087	1087	2.72
14	A"	790	790	23.70
15	A"	161	161	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.650	0.000
C2	-1.492	0.768	0.000
S3	0.876	-0.784	0.000
H4	0.551	1.591	0.000
H5	-1.972	-0.212	0.000
H6	-1.825	1.333	0.881
H7	-1.825	1.333	-0.881

	C1	C2	S3	H4	H5	H6	H7
C1		1.4966	1.6805	1.0908	2.1518	2.1390	2.1390
C2	1.4966		2.8317	2.2025	1.0913	1.0987	1.0987
S3	1.6805	2.8317		2.3974	2.9049	3.5440	3.5440
H4	1.0908	2.2025	2.3974		3.1009	2.5474	2.5474
H5	2.1518	1.0913	2.9049	3.1009		1.7852	1.7852
H6	2.1390	1.0987	3.5440	2.5474	1.7852		1.7621
H7	2.1390	1.0987	3.5440	2.5474	1.7852	1.7621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.537	C1	C2	H6	110.066
C1	C2	H7	110.066	C2	C1	S3	125.970
C2	C1	H4	115.807	S3	C1	H4	118.223
H5	C2	H6	109.208	H5	C2	H7	109.208
H6	C2	H7	106.626

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: B2PLYP=FULL/6-31G

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/6-31G

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)