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	hartrees
Energy at 0K	-476.172300
Energy at 298.15K	-476.167312
HF Energy	-475.551772
Nuclear repulsion energy	93.173314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3315	3315	15.95
2	A'	3289	3289	13.77
3	A'	3181	3181	9.76
4	A'	1618	1618	4.97
5	A'	1538	1538	28.31
6	A'	1511	1511	58.93
7	A'	1247	1247	56.40
8	A'	1176	1176	14.97
9	A'	891	891	1.22
10	A'	421	421	3.16
11	A"	3237	3237	14.99
12	A"	1607	1607	9.25
13	A"	1154	1154	3.96
14	A"	839	839	11.52
15	A"	174	174	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.613	0.000
C2	-1.496	0.702	0.000
S3	0.880	-0.731	0.000
H4	0.507	1.572	0.000
H5	-1.955	-0.280	0.000
H6	-1.828	1.260	0.876
H7	-1.828	1.260	-0.876

	C1	C2	S3	H4	H5	H6	H7
C1		1.4989	1.6070	1.0841	2.1495	2.1272	2.1272
C2	1.4989		2.7750	2.1839	1.0833	1.0901	1.0901
S3	1.6070	2.7750		2.3331	2.8711	3.4733	3.4733
H4	1.0841	2.1839	2.3331		3.0804	2.5125	2.5125
H5	2.1495	1.0833	2.8711	3.0804		1.7759	1.7759
H6	2.1272	1.0901	3.4733	2.5125	1.7759		1.7511
H7	2.1272	1.0901	3.4733	2.5125	1.7759	1.7511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.682	C1	C2	H6	109.486
C1	C2	H7	109.486	C2	C1	S3	126.587
C2	C1	H4	114.487	S3	C1	H4	118.927
H5	C2	H6	109.594	H5	C2	H7	109.594
H6	C2	H7	106.878

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)