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	hartrees
Energy at 0K	-470.419614
Energy at 298.15K	-470.423302
HF Energy	-470.255487
Nuclear repulsion energy	91.322932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3548	3154	2.00
2	A'	3371	2996	16.17
3	A'	3356	2983	1.13
4	A'	1725	1533	1.37
5	A'	1600	1422	0.27
6	A'	1545	1373	26.48
7	A'	1276	1134	0.90
8	A'	1183	1051	5.06
9	A'	901	801	2.68
10	A'	404	360	0.58
11	A"	3525	3134	1.72
12	A"	1721	1530	1.88
13	A"	1151	1023	0.01
14	A"	768	683	5.81
15	A"	158	141	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.626	0.000
C2	-1.551	0.670	0.000
S3	0.917	-0.718	0.000
H4	0.450	1.643	0.000
H5	-1.982	-0.345	0.000
H6	-1.921	1.210	0.891
H7	-1.921	1.210	-0.891

	C1	C2	S3	H4	H5	H6	H7
C1		1.5512	1.6274	1.1126	2.2073	2.1965	2.1965
C2	1.5512		2.8319	2.2244	1.1036	1.1056	1.1056
S3	1.6274	2.8319		2.4078	2.9236	3.5451	3.5451
H4	1.1126	2.2244	2.4078		3.1416	2.5693	2.5693
H5	2.2073	1.1036	2.9236	3.1416		1.7934	1.7934
H6	2.1965	1.1056	3.5451	2.5693	1.7934		1.7825
H7	2.1965	1.1056	3.5451	2.5693	1.7934	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.381	C1	C2	H6	110.407
C1	C2	H7	110.407	C2	C1	S3	125.959
C2	C1	H4	112.195	S3	C1	H4	121.847
H5	C2	H6	108.546	H5	C2	H7	108.546
H6	C2	H7	107.438

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)