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	hartrees
Energy at 0K	-476.094933
Energy at 298.15K
HF Energy	-475.616776
Nuclear repulsion energy	93.464422

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.617	0.000
C2	-1.487	0.698	0.000
S3	0.875	-0.730	0.000
H4	0.510	1.573	0.000
H5	-1.935	-0.286	0.000
H6	-1.822	1.253	0.873
H7	-1.822	1.253	-0.873

	C1	C2	S3	H4	H5	H6	H7
C1		1.4894	1.6065	1.0831	2.1356	2.1179	2.1179
C2	1.4894		2.7599	2.1807	1.0811	1.0874	1.0874
S3	1.6065	2.7599		2.3316	2.8444	3.4592	3.4592
H4	1.0831	2.1807	2.3316		3.0717	2.5107	2.5107
H5	2.1356	1.0811	2.8444	3.0717		1.7732	1.7732
H6	2.1179	1.0874	3.4592	2.5107	1.7732		1.7462
H7	2.1179	1.0874	3.4592	2.5107	1.7732	1.7462

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.374	C1	C2	H6	109.563
C1	C2	H7	109.563	C2	C1	S3	126.071
C2	C1	H4	115.016	S3	C1	H4	118.914
H5	C2	H6	109.708	H5	C2	H7	109.708
H6	C2	H7	106.816

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CISD/daug-cc-pVTZ

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: CISD/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)