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	hartrees
Energy at 0K	-475.968147
Energy at 298.15K
HF Energy	-475.559845
Nuclear repulsion energy	92.826410

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.624	0.000
C2	-1.493	0.708	0.000
S3	0.878	-0.739	0.000
H4	0.517	1.584	0.000
H5	-1.944	-0.281	0.000
H6	-1.832	1.263	0.878
H7	-1.832	1.263	-0.878

	C1	C2	S3	H4	H5	H6	H7
C1		1.4954	1.6215	1.0904	2.1444	2.1293	2.1293
C2	1.4954		2.7778	2.1925	1.0873	1.0925	1.0925
S3	1.6215	2.7778		2.3513	2.8587	3.4816	3.4816
H4	1.0904	2.1925	2.3513		3.0879	2.5276	2.5276
H5	2.1444	1.0873	2.8587	3.0879		1.7801	1.7801
H6	2.1293	1.0925	3.4816	2.5276	1.7801		1.7560
H7	2.1293	1.0925	3.4816	2.5276	1.7801	1.7560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.273	C1	C2	H6	109.753
C1	C2	H7	109.753	C2	C1	S3	126.004
C2	C1	H4	115.069	S3	C1	H4	118.926
H5	C2	H6	109.499	H5	C2	H7	109.499
H6	C2	H7	106.965

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)