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	hartrees
Energy at 0K	-476.670828
Energy at 298.15K	-476.674656
HF Energy	-476.463115
Nuclear repulsion energy	93.121131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3160	7.85
2	A'	3097	3097	22.00
3	A'	3040	3040	4.33
4	A'	1494	1494	5.51
5	A'	1402	1402	13.77
6	A'	1389	1389	57.83
7	A'	1173	1173	36.33
8	A'	1092	1092	5.87
9	A'	838	838	1.08
10	A'	396	396	1.93
11	A"	3089	3089	6.96
12	A"	1488	1488	8.57
13	A"	1057	1057	4.06
14	A"	777	777	12.74
15	A"	177	177	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.620	0.000
C2	-1.487	0.708	0.000
S3	0.875	-0.738	0.000
H4	0.514	1.579	0.000
H5	-1.943	-0.276	0.000
H6	-1.823	1.269	0.874
H7	-1.823	1.269	-0.874

	C1	C2	S3	H4	H5	H6	H7
C1		1.4892	1.6155	1.0878	2.1401	2.1229	2.1229
C2	1.4892		2.7686	2.1822	1.0847	1.0916	1.0916
S3	1.6155	2.7686		2.3448	2.8554	3.4737	3.4737
H4	1.0878	2.1822	2.3448		3.0790	2.5141	2.5141
H5	2.1401	1.0847	2.8554	3.0790		1.7792	1.7792
H6	2.1229	1.0916	3.4737	2.5141	1.7792		1.7481
H7	2.1229	1.0916	3.4737	2.5141	1.7792	1.7481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.532	C1	C2	H6	109.725
C1	C2	H7	109.725	C2	C1	S3	126.141
C2	C1	H4	114.841	S3	C1	H4	119.018
H5	C2	H6	109.668	H5	C2	H7	109.668
H6	C2	H7	106.389

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: B2PLYP=FULL/cc-pV(T+d)Z

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/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)