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	hartrees
Energy at 0K	-476.058237
Energy at 298.15K	-476.062069
HF Energy	-475.583193
Nuclear repulsion energy	92.321993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3180	9.76
2	A'	3147	3147	13.33
3	A'	3051	3051	7.13
4	A'	1485	1485	6.76
5	A'	1406	1406	53.50
6	A'	1390	1390	8.37
7	A'	1198	1198	20.41
8	A'	1092	1092	2.13
9	A'	850	850	2.13
10	A'	398	398	1.71
11	A"	3118	3118	8.43
12	A"	1470	1470	7.53
13	A"	1049	1049	7.18
14	A"	767	767	14.02
15	A"	175	175	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.627	0.000
C2	-1.502	0.707	0.000
S3	0.883	-0.741	0.000
H4	0.519	1.595	0.000
H5	-1.956	-0.291	0.000
H6	-1.842	1.270	0.885
H7	-1.842	1.270	-0.885

	C1	C2	S3	H4	H5	H6	H7
C1		1.5037	1.6285	1.0983	2.1610	2.1426	2.1426
C2	1.5037		2.7899	2.2075	1.0971	1.1032	1.1032
S3	1.6285	2.7899		2.3641	2.8744	3.5009	3.5009
H4	1.0983	2.2075	2.3641		3.1123	2.5428	2.5428
H5	2.1610	1.0971	2.8744	3.1123		1.7990	1.7990
H6	2.1426	1.1032	3.5009	2.5428	1.7990		1.7706
H7	2.1426	1.1032	3.5009	2.5428	1.7990	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.420	C1	C2	H6	109.593
C1	C2	H7	109.593	C2	C1	S3	125.882
C2	C1	H4	115.179	S3	C1	H4	118.939
H5	C2	H6	109.692	H5	C2	H7	109.692
H6	C2	H7	106.737

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP3=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: MP3=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)