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	hartrees
Energy at 0K	-476.024768
Energy at 298.15K	-476.028578
HF Energy	-475.582413
Nuclear repulsion energy	92.261921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3092	5.53
2	A'	3121	3025	20.48
3	A'	3053	2959	5.18
4	A'	1472	1426	6.03
5	A'	1384	1342	52.80
6	A'	1368	1326	9.25
7	A'	1191	1154	16.12
8	A'	1081	1048	1.88
9	A'	841	815	3.34
10	A'	396	384	1.30
11	A"	3131	3035	5.77
12	A"	1461	1416	8.08
13	A"	1035	1003	6.78
14	A"	757	734	14.24
15	A"	173	168	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.630	0.000
C2	-1.498	0.712	0.000
S3	0.880	-0.745	0.000
H4	0.527	1.598	0.000
H5	-1.951	-0.287	0.000
H6	-1.837	1.277	0.885
H7	-1.837	1.277	-0.885

	C1	C2	S3	H4	H5	H6	H7
C1		1.5000	1.6331	1.1017	2.1563	2.1394	2.1394
C2	1.5000		2.7892	2.2097	1.0975	1.1032	1.1032
S3	1.6331	2.7892		2.3697	2.8686	3.5010	3.5010
H4	1.1017	2.2097	2.3697		3.1136	2.5447	2.5447
H5	2.1563	1.0975	2.8686	3.1136		1.8003	1.8003
H6	2.1394	1.1032	3.5010	2.5447	1.8003		1.7703
H7	2.1394	1.1032	3.5010	2.5447	1.8003	1.7703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.284	C1	C2	H6	109.590
C1	C2	H7	109.590	C2	C1	S3	125.752
C2	C1	H4	115.425	S3	C1	H4	118.822
H5	C2	H6	109.780	H5	C2	H7	109.780
H6	C2	H7	106.707

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)