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	hartrees
Energy at 0K	-476.063395
Energy at 298.15K	-476.067210
HF Energy	-475.582901
Nuclear repulsion energy	92.102699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3158	9.85
2	A'	3117	3117	16.15
3	A'	3031	3031	8.73
4	A'	1479	1479	5.70
5	A'	1400	1400	43.71
6	A'	1385	1385	19.16
7	A'	1183	1183	22.50
8	A'	1085	1085	3.63
9	A'	840	840	0.78
10	A'	395	395	1.70
11	A"	3097	3097	9.52
12	A"	1468	1468	6.95
13	A"	1045	1045	6.21
14	A"	763	763	12.59
15	A"	172	172	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.629	0.000
C2	-1.503	0.713	0.000
S3	0.884	-0.745	0.000
H4	0.522	1.599	0.000
H5	-1.960	-0.286	0.000
H6	-1.842	1.277	0.887
H7	-1.842	1.277	-0.887

	C1	C2	S3	H4	H5	H6	H7
C1		1.5055	1.6341	1.1006	2.1633	2.1446	2.1446
C2	1.5055		2.7970	2.2101	1.0986	1.1045	1.1045
S3	1.6341	2.7970		2.3713	2.8806	3.5079	3.5079
H4	1.1006	2.2101	2.3713		3.1162	2.5451	2.5451
H5	2.1633	1.0986	2.8806	3.1162		1.8013	1.8013
H6	2.1446	1.1045	3.5079	2.5451	1.8013		1.7742
H7	2.1446	1.1045	3.5079	2.5451	1.8013	1.7742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.394	C1	C2	H6	109.548
C1	C2	H7	109.548	C2	C1	S3	125.919
C2	C1	H4	115.118	S3	C1	H4	118.962
H5	C2	H6	109.689	H5	C2	H7	109.689
H6	C2	H7	106.864

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCSD=FULL/daug-cc-pVDZ

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: CCSD=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)