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	hartrees
Energy at 0K	-476.125775
Energy at 298.15K	-476.129598
HF Energy	-475.617025
Nuclear repulsion energy	93.125525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	3040	4.84
2	A'	3114	2966	19.48
3	A'	3061	2916	3.99
4	A'	1494	1423	5.86
5	A'	1396	1329	36.80
6	A'	1386	1320	23.61
7	A'	1192	1136	18.06
8	A'	1090	1039	1.82
9	A'	846	805	3.26
10	A'	396	377	1.46
11	A"	3134	2985	5.06
12	A"	1489	1418	8.62
13	A"	1052	1002	4.91
14	A"	770	733	13.81
15	A"	174	165	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.623	0.000
C2	-1.490	0.698	0.000
S3	0.876	-0.733	0.000
H4	0.513	1.585	0.000
H5	-1.934	-0.293	0.000
H6	-1.831	1.254	0.876
H7	-1.831	1.254	-0.876

	C1	C2	S3	H4	H5	H6	H7
C1		1.4916	1.6150	1.0900	2.1395	2.1251	2.1251
C2	1.4916		2.7654	2.1905	1.0859	1.0917	1.0917
S3	1.6150	2.7654		2.3464	2.8441	3.4704	3.4704
H4	1.0900	2.1905	2.3464		3.0842	2.5240	2.5240
H5	2.1395	1.0859	2.8441	3.0842		1.7804	1.7804
H6	2.1251	1.0917	3.4704	2.5240	1.7804		1.7512
H7	2.1251	1.0917	3.4704	2.5240	1.7804	1.7512

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.239	C1	C2	H6	109.726
C1	C2	H7	109.726	C2	C1	S3	125.742
C2	C1	H4	115.210	S3	C1	H4	119.048
H5	C2	H6	109.695	H5	C2	H7	109.695
H6	C2	H7	106.651

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2/cc-pV(T+d)Z

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/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)