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	hartrees
Energy at 0K	-476.053812
Energy at 298.15K	-476.057641
HF Energy	-475.597748
Nuclear repulsion energy	92.863984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3019	12.43
2	A'	3141	2978	16.93
3	A'	3063	2903	9.99
4	A'	1516	1437	5.15
5	A'	1440	1365	26.85
6	A'	1425	1351	21.63
7	A'	1204	1142	18.74
8	A'	1113	1056	0.82
9	A'	855	810	2.22
10	A'	405	384	1.20
11	A"	3125	2962	12.31
12	A"	1495	1418	8.29
13	A"	1073	1017	7.83
14	A"	777	737	13.02
15	A"	163	155	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.623	0.000
C2	-1.495	0.702	0.000
S3	0.880	-0.735	0.000
H4	0.511	1.586	0.000
H5	-1.944	-0.289	0.000
H6	-1.837	1.255	0.880
H7	-1.837	1.255	-0.880

	C1	C2	S3	H4	H5	H6	H7
C1		1.4974	1.6186	1.0895	2.1475	2.1323	2.1323
C2	1.4974		2.7762	2.1922	1.0881	1.0938	1.0938
S3	1.6186	2.7762		2.3500	2.8588	3.4808	3.4808
H4	1.0895	2.1922	2.3500		3.0889	2.5288	2.5288
H5	2.1475	1.0881	2.8588	3.0889		1.7806	1.7806
H6	2.1323	1.0938	3.4808	2.5288	1.7806		1.7594
H7	2.1323	1.0938	3.4808	2.5288	1.7806	1.7594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.334	C1	C2	H6	109.776
C1	C2	H7	109.776	C2	C1	S3	125.942
C2	C1	H4	114.952	S3	C1	H4	119.107
H5	C2	H6	109.389	H5	C2	H7	109.389
H6	C2	H7	107.081

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCD/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: CCD/TZVP

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)