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	hartrees
Energy at 0K	-476.161190
Energy at 298.15K	-476.165012
HF Energy	-475.616949
Nuclear repulsion energy	92.945316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3021	8.59
2	A'	3116	2975	16.57
3	A'	3045	2907	6.77
4	A'	1502	1434	4.97
5	A'	1416	1352	26.81
6	A'	1399	1335	37.60
7	A'	1182	1129	28.05
8	A'	1095	1045	5.10
9	A'	843	804	0.54
10	A'	395	377	1.91
11	A"	3104	2963	8.83
12	A"	1497	1429	7.71
13	A"	1062	1014	4.54
14	A"	776	741	12.29
15	A"	171	163	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.623	0.000
C2	-1.494	0.701	0.000
S3	0.879	-0.735	0.000
H4	0.511	1.584	0.000
H5	-1.942	-0.289	0.000
H6	-1.834	1.257	0.877
H7	-1.834	1.257	-0.877

	C1	C2	S3	H4	H5	H6	H7
C1		1.4964	1.6170	1.0890	2.1452	2.1297	2.1297
C2	1.4964		2.7740	2.1910	1.0869	1.0928	1.0928
S3	1.6170	2.7740		2.3481	2.8559	3.4781	3.4781
H4	1.0890	2.1910	2.3481		3.0863	2.5247	2.5247
H5	2.1452	1.0869	2.8559	3.0863		1.7812	1.7812
H6	2.1297	1.0928	3.4781	2.5247	1.7812		1.7548
H7	2.1297	1.0928	3.4781	2.5247	1.7812	1.7548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.300	C1	C2	H6	109.696
C1	C2	H7	109.696	C2	C1	S3	125.949
C2	C1	H4	114.954	S3	C1	H4	119.098
H5	C2	H6	109.612	H5	C2	H7	109.612
H6	C2	H7	106.819

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: QCISD/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: QCISD/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)