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	hartrees
Energy at 0K	-473.596609
Energy at 298.15K	-473.600452
HF Energy	-473.273858
Nuclear repulsion energy	92.318159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3019	7.94
2	A'	3129	2966	15.92
3	A'	3072	2912	2.72
4	A'	1580	1498	6.40
5	A'	1482	1405	10.56
6	A'	1447	1371	36.00
7	A'	1185	1124	23.00
8	A'	1132	1073	0.72
9	A'	838	794	3.27
10	A'	413	392	1.02
11	A"	3131	2968	7.64
12	A"	1577	1495	10.80
13	A"	1116	1058	2.32
14	A"	799	758	22.23
15	A"	164	156	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.630	0.000
C2	-1.515	0.690	0.000
S3	0.891	-0.730	0.000
H4	0.498	1.602	0.000
H5	-1.936	-0.318	0.000
H6	-1.866	1.235	0.886
H7	-1.866	1.235	-0.886

	C1	C2	S3	H4	H5	H6	H7
C1		1.5163	1.6254	1.0923	2.1555	2.1526	2.1526
C2	1.5163		2.7939	2.2097	1.0924	1.0976	1.0976
S3	1.6254	2.7939		2.3647	2.8571	3.4998	3.4998
H4	1.0923	2.2097	2.3647		3.0999	2.5507	2.5507
H5	2.1555	1.0924	2.8571	3.0999		1.7894	1.7894
H6	2.1526	1.0976	3.4998	2.5507	1.7894		1.7711
H7	2.1526	1.0976	3.4998	2.5507	1.7894	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.383	C1	C2	H6	109.838
C1	C2	H7	109.838	C2	C1	S3	125.533
C2	C1	H4	114.820	S3	C1	H4	119.648
H5	C2	H6	109.584	H5	C2	H7	109.584
H6	C2	H7	107.566

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2=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: MP2=FULL/3-21G*

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)