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	hartrees
Energy at 0K	-476.135158
Energy at 298.15K	-476.138968
HF Energy	-475.616378
Nuclear repulsion energy	93.006216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3184	3.98
2	A'	3107	3107	17.19
3	A'	3054	3054	3.72
4	A'	1497	1497	6.79
5	A'	1398	1398	21.12
6	A'	1385	1385	39.98
7	A'	1190	1190	18.73
8	A'	1090	1090	2.15
9	A'	844	844	3.18
10	A'	394	394	1.32
11	A"	3127	3127	3.88
12	A"	1491	1491	8.28
13	A"	1052	1052	5.75
14	A"	765	765	14.54
15	A"	174	174	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.625	0.000
C2	-1.489	0.703	0.000
S3	0.876	-0.737	0.000
H4	0.517	1.586	0.000
H5	-1.935	-0.288	0.000
H6	-1.828	1.260	0.876
H7	-1.828	1.260	-0.876

	C1	C2	S3	H4	H5	H6	H7
C1		1.4912	1.6192	1.0908	2.1400	2.1241	2.1241
C2	1.4912		2.7684	2.1922	1.0867	1.0925	1.0925
S3	1.6192	2.7684		2.3498	2.8462	3.4732	3.4732
H4	1.0908	2.1922	2.3498		3.0865	2.5247	2.5247
H5	2.1400	1.0867	2.8462	3.0865		1.7825	1.7825
H6	2.1241	1.0925	3.4732	2.5247	1.7825		1.7530
H7	2.1241	1.0925	3.4732	2.5247	1.7825	1.7530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.256	C1	C2	H6	109.630
C1	C2	H7	109.630	C2	C1	S3	125.704
C2	C1	H4	115.342	S3	C1	H4	118.954
H5	C2	H6	109.759	H5	C2	H7	109.759
H6	C2	H7	106.698

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2/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: MP2/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)