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	hartrees
Energy at 0K	-476.607357
Energy at 298.15K	-476.611163
HF Energy	-476.445851
Nuclear repulsion energy	92.700895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3022	9.23
2	A'	3106	2964	21.52
3	A'	3042	2903	5.24
4	A'	1497	1428	6.00
5	A'	1410	1345	18.40
6	A'	1394	1331	49.00
7	A'	1167	1114	36.61
8	A'	1095	1045	6.44
9	A'	834	795	0.83
10	A'	398	380	1.57
11	A"	3097	2955	8.16
12	A"	1486	1418	10.76
13	A"	1057	1008	5.59
14	A"	775	739	13.34
15	A"	164	156	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.625	0.000
C2	-1.488	0.720	0.000
S3	0.875	-0.747	0.000
H4	0.521	1.583	0.000
H5	-1.951	-0.264	0.000
H6	-1.822	1.282	0.876
H7	-1.822	1.282	-0.876

	C1	C2	S3	H4	H5	H6	H7
C1		1.4912	1.6277	1.0899	2.1444	2.1256	2.1256
C2	1.4912		2.7815	2.1868	1.0868	1.0934	1.0934
S3	1.6277	2.7815		2.3565	2.8677	3.4869	3.4869
H4	1.0899	2.1868	2.3565		3.0857	2.5194	2.5194
H5	2.1444	1.0868	2.8677	3.0857		1.7813	1.7813
H6	2.1256	1.0934	3.4869	2.5194	1.7813		1.7529
H7	2.1256	1.0934	3.4869	2.5194	1.7813	1.7529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.609	C1	C2	H6	109.693
C1	C2	H7	109.693	C2	C1	S3	126.148
C2	C1	H4	114.935	S3	C1	H4	118.917
H5	C2	H6	109.577	H5	C2	H7	109.577
H6	C2	H7	106.561

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: B2PLYP=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)