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	hartrees
Energy at 0K	-476.084082
Energy at 298.15K	-476.087967
HF Energy	-475.615300
Nuclear repulsion energy	93.526917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3244	3006	7.75
2	A'	3200	2965	14.03
3	A'	3119	2890	5.34
4	A'	1543	1430	6.23
5	A'	1459	1352	42.60
6	A'	1443	1337	28.46
7	A'	1225	1135	32.03
8	A'	1130	1047	4.84
9	A'	874	810	0.81
10	A'	407	377	2.28
11	A"	3179	2945	8.07
12	A"	1534	1421	8.56
13	A"	1101	1020	5.26
14	A"	805	746	12.76
15	A"	179	166	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.616	0.000
C2	-1.487	0.696	0.000
S3	0.875	-0.729	0.000
H4	0.507	1.573	0.000
H5	-1.935	-0.288	0.000
H6	-1.824	1.250	0.872
H7	-1.824	1.250	-0.872

	C1	C2	S3	H4	H5	H6	H7
C1		1.4895	1.6045	1.0825	2.1354	2.1186	2.1186
C2	1.4895		2.7585	2.1789	1.0805	1.0868	1.0868
S3	1.6045	2.7585		2.3303	2.8438	3.4581	3.4581
H4	1.0825	2.1789	2.3303		3.0698	2.5099	2.5099
H5	2.1354	1.0805	2.8438	3.0698		1.7713	1.7713
H6	2.1186	1.0868	3.4581	2.5099	1.7713		1.7445
H7	2.1186	1.0868	3.4581	2.5099	1.7713	1.7445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.391	C1	C2	H6	109.656
C1	C2	H7	109.656	C2	C1	S3	126.102
C2	C1	H4	114.894	S3	C1	H4	119.004
H5	C2	H6	109.635	H5	C2	H7	109.635
H6	C2	H7	106.756

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CID/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: CID/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)