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	hartrees
Energy at 0K	-476.684486
Energy at 298.15K	-476.688302
HF Energy	-476.456118
Nuclear repulsion energy	93.076715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3160	6.28
2	A'	3089	3089	20.23
3	A'	3036	3036	3.88
4	A'	1494	1494	6.28
5	A'	1402	1402	12.84
6	A'	1384	1384	61.24
7	A'	1172	1172	37.43
8	A'	1090	1090	5.93
9	A'	837	837	0.97
10	A'	397	397	1.68
11	A"	3088	3088	5.49
12	A"	1487	1487	8.64
13	A"	1053	1053	5.07
14	A"	772	772	13.50
15	A"	173	173	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.620	0.000
C2	-1.487	0.709	0.000
S3	0.875	-0.739	0.000
H4	0.516	1.579	0.000
H5	-1.948	-0.274	0.000
H6	-1.822	1.271	0.874
H7	-1.822	1.271	-0.874

	C1	C2	S3	H4	H5	H6	H7
C1		1.4897	1.6158	1.0897	2.1430	2.1233	2.1233
C2	1.4897		2.7702	2.1841	1.0854	1.0922	1.0922
S3	1.6158	2.7702		2.3458	2.8608	3.4753	3.4753
H4	1.0897	2.1841	2.3458		3.0832	2.5152	2.5152
H5	2.1430	1.0854	2.8608	3.0832		1.7797	1.7797
H6	2.1233	1.0922	3.4753	2.5152	1.7797		1.7485
H7	2.1233	1.0922	3.4753	2.5152	1.7797	1.7485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.698	C1	C2	H6	109.694
C1	C2	H7	109.694	C2	C1	S3	126.212
C2	C1	H4	114.843	S3	C1	H4	118.945
H5	C2	H6	109.631	H5	C2	H7	109.631
H6	C2	H7	106.349

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: B2PLYP=FULL/6-311+G(3df,2p)

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: B2PLYP=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)