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	hartrees
Energy at 0K	-88.122081
Energy at 298.15K	-88.125854
HF Energy	-87.894110
Nuclear repulsion energy	53.352000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3033	35.15
2	A'	3125	3009	19.52
3	A'	3009	2898	13.52
4	A'	1524	1467	11.73
5	A'	1448	1395	13.84
6	A'	1410	1358	17.93
7	A'	1166	1123	16.12
8	A'	1113	1072	2.44
9	A'	807	777	4.26
10	A'	393	378	0.94
11	A"	3097	2983	24.48
12	A"	1515	1459	13.98
13	A"	1079	1039	5.23
14	A"	777	748	27.76
15	A"	157	151	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.651	0.000
C2	-1.525	0.754	0.000
S3	0.896	-0.777	0.000
H4	0.536	1.614	0.000
H5	-1.994	-0.243	0.000
H6	-1.865	1.315	0.892
H7	-1.865	1.315	-0.892

	C1	C2	S3	H4	H5	H6	H7
C1		1.5280	1.6857	1.1018	2.1851	2.1712	2.1712
C2	1.5280		2.8638	2.2330	1.1020	1.1072	1.1072
S3	1.6857	2.8638		2.4173	2.9385	3.5767	3.5767
H4	1.1018	2.2330	2.4173		3.1383	2.5789	2.5789
H5	2.1851	1.1020	2.9385	3.1383		1.7999	1.7999
H6	2.1712	1.1072	3.5767	2.5789	1.7999		1.7835
H7	2.1712	1.1072	3.5767	2.5789	1.7999	1.7835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.345	C1	C2	H6	109.930
C1	C2	H7	109.930	C2	C1	S3	125.962
C2	C1	H4	115.270	S3	C1	H4	118.767
H5	C2	H6	109.121	H5	C2	H7	109.121
H6	C2	H7	107.299

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)