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	hartrees
Energy at 0K	-476.173265
Energy at 298.15K	-476.177101
HF Energy	-475.588686
Nuclear repulsion energy	92.944710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3189	10.40
2	A'	3145	3145	17.38
3	A'	3067	3067	6.14
4	A'	1529	1529	5.13
5	A'	1449	1449	46.24
6	A'	1435	1435	22.48
7	A'	1220	1220	23.91
8	A'	1122	1122	2.45
9	A'	865	865	1.86
10	A'	410	410	0.80
11	A"	3128	3128	10.07
12	A"	1510	1510	13.48
13	A"	1078	1078	6.20
14	A"	783	783	23.22
15	A"	163	163	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.619	0.000
C2	-1.496	0.700	0.000
S3	0.881	-0.732	0.000
H4	0.515	1.582	0.000
H5	-1.948	-0.291	0.000
H6	-1.840	1.257	0.879
H7	-1.840	1.257	-0.879

	C1	C2	S3	H4	H5	H6	H7
C1		1.4984	1.6129	1.0919	2.1503	2.1364	2.1364
C2	1.4984		2.7751	2.1962	1.0897	1.0957	1.0957
S3	1.6129	2.7751		2.3425	2.8628	3.4826	3.4826
H4	1.0919	2.1962	2.3425		3.0947	2.5348	2.5348
H5	2.1503	1.0897	2.8628	3.0947		1.7836	1.7836
H6	2.1364	1.0957	3.4826	2.5348	1.7836		1.7585
H7	2.1364	1.0957	3.4826	2.5348	1.7836	1.7585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.392	C1	C2	H6	109.911
C1	C2	H7	109.911	C2	C1	S3	126.197
C2	C1	H4	115.059	S3	C1	H4	118.743
H5	C2	H6	109.393	H5	C2	H7	109.393
H6	C2	H7	106.725

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP3=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)