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	hartrees
Energy at 0K	-476.082986
Energy at 298.15K	-476.086864
HF Energy	-475.612311
Nuclear repulsion energy	93.602571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3243	8.00
2	A'	3198	3198	14.12
3	A'	3119	3119	5.68
4	A'	1542	1542	6.36
5	A'	1459	1459	35.35
6	A'	1442	1442	35.40
7	A'	1222	1222	32.89
8	A'	1127	1127	4.85
9	A'	871	871	0.70
10	A'	407	407	2.20
11	A"	3177	3177	7.90
12	A"	1534	1534	8.53
13	A"	1101	1101	5.83
14	A"	804	804	12.09
15	A"	180	180	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.615	0.000
C2	-1.488	0.693	0.000
S3	0.875	-0.726	0.000
H4	0.505	1.572	0.000
H5	-1.934	-0.291	0.000
H6	-1.824	1.247	0.872
H7	-1.824	1.247	-0.872

	C1	C2	S3	H4	H5	H6	H7
C1		1.4900	1.6014	1.0825	2.1359	2.1186	2.1186
C2	1.4900		2.7567	2.1785	1.0806	1.0868	1.0868
S3	1.6014	2.7567		2.3279	2.8430	3.4558	3.4558
H4	1.0825	2.1785	2.3279		3.0697	2.5086	2.5086
H5	2.1359	1.0806	2.8430	3.0697		1.7720	1.7720
H6	2.1186	1.0868	3.4558	2.5086	1.7720		1.7448
H7	2.1186	1.0868	3.4558	2.5086	1.7720	1.7448

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.380	C1	C2	H6	109.612
C1	C2	H7	109.612	C2	C1	S3	126.141
C2	C1	H4	114.820	S3	C1	H4	119.038
H5	C2	H6	109.676	H5	C2	H7	109.676
H6	C2	H7	106.774

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CISD/Def2TZVPP

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: CISD/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)