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	hartrees
Energy at 0K	-476.220681
Energy at 298.15K	-476.224556
HF Energy	-475.615237
Nuclear repulsion energy	93.437806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	2981	10.32
2	A'	3172	2958	9.81
3	A'	3086	2878	4.87
4	A'	1518	1416	5.85
5	A'	1431	1335	47.50
6	A'	1418	1322	14.35
7	A'	1211	1130	23.42
8	A'	1110	1035	2.50
9	A'	862	804	2.19
10	A'	401	374	1.89
11	A"	3132	2921	6.89
12	A"	1510	1408	8.51
13	A"	1078	1005	5.63
14	A"	796	743	13.81
15	A"	187	175	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.620	0.000
C2	-1.486	0.698	0.000
S3	0.874	-0.731	0.000
H4	0.508	1.574	0.000
H5	-1.929	-0.289	0.000
H6	-1.825	1.251	0.873
H7	-1.825	1.251	-0.873

	C1	C2	S3	H4	H5	H6	H7
C1		1.4878	1.6095	1.0804	2.1326	2.1192	2.1192
C2	1.4878		2.7586	2.1777	1.0816	1.0877	1.0877
S3	1.6095	2.7586		2.3340	2.8377	3.4606	3.4606
H4	1.0804	2.1777	2.3340		3.0673	2.5120	2.5120
H5	2.1326	1.0816	2.8377	3.0673		1.7729	1.7729
H6	2.1192	1.0877	3.4606	2.5120	1.7729		1.7459
H7	2.1192	1.0877	3.4606	2.5120	1.7729	1.7459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.213	C1	C2	H6	109.763
C1	C2	H7	109.763	C2	C1	S3	125.871
C2	C1	H4	115.059	S3	C1	H4	119.070
H5	C2	H6	109.625	H5	C2	H7	109.625
H6	C2	H7	106.748

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP3=FULL/cc-pVTZ

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: MP3=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)