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	hartrees
Energy at 0K	-476.239762
Energy at 298.15K	-476.243623
HF Energy	-475.616556
Nuclear repulsion energy	93.447870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3186	12.34
2	A'	3170	3170	5.21
3	A'	3076	3076	4.59
4	A'	1521	1521	6.65
5	A'	1430	1430	44.07
6	A'	1418	1418	20.16
7	A'	1210	1210	23.66
8	A'	1111	1111	3.08
9	A'	861	861	2.05
10	A'	400	400	1.76
11	A"	3124	3124	5.53
12	A"	1509	1509	8.18
13	A"	1076	1076	6.22
14	A"	786	786	14.66
15	A"	181	181	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.621	0.000
C2	-1.484	0.698	0.000
S3	0.873	-0.731	0.000
H4	0.508	1.575	0.000
H5	-1.930	-0.290	0.000
H6	-1.824	1.252	0.874
H7	-1.824	1.252	-0.874

	C1	C2	S3	H4	H5	H6	H7
C1		1.4860	1.6094	1.0807	2.1337	2.1191	2.1191
C2	1.4860		2.7569	2.1759	1.0838	1.0894	1.0894
S3	1.6094	2.7569		2.3347	2.8378	3.4604	3.4604
H4	1.0807	2.1759	2.3347		3.0686	2.5111	2.5111
H5	2.1337	1.0838	2.8378	3.0686		1.7754	1.7754
H6	2.1191	1.0894	3.4604	2.5111	1.7754		1.7488
H7	2.1191	1.0894	3.4604	2.5111	1.7754	1.7488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.299	C1	C2	H6	109.774
C1	C2	H7	109.774	C2	C1	S3	125.862
C2	C1	H4	115.022	S3	C1	H4	119.116
H5	C2	H6	109.564	H5	C2	H7	109.564
H6	C2	H7	106.757

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP3=FULL/aug-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: MP3=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)