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	hartrees
Energy at 0K	-475.989635
Energy at 298.15K	-475.993501
HF Energy	-475.583532
Nuclear repulsion energy	92.591801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3226	9.48
2	A'	3188	3188	14.59
3	A'	3096	3096	7.21
4	A'	1515	1515	7.62
5	A'	1437	1437	53.95
6	A'	1419	1419	16.69
7	A'	1212	1212	29.77
8	A'	1114	1114	5.13
9	A'	864	864	0.55
10	A'	405	405	2.16
11	A"	3161	3161	9.21
12	A"	1502	1502	7.61
13	A"	1077	1077	6.59
14	A"	788	788	12.51
15	A"	178	178	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.624	0.000
C2	-1.498	0.707	0.000
S3	0.881	-0.739	0.000
H4	0.519	1.588	0.000
H5	-1.953	-0.286	0.000
H6	-1.833	1.270	0.883
H7	-1.833	1.270	-0.883

	C1	C2	S3	H4	H5	H6	H7
C1		1.5002	1.6230	1.0951	2.1550	2.1350	2.1350
C2	1.5002		2.7839	2.2009	1.0930	1.0993	1.0993
S3	1.6230	2.7839		2.3557	2.8699	3.4904	3.4904
H4	1.0951	2.2009	2.3557		3.1026	2.5327	2.5327
H5	2.1550	1.0930	2.8699	3.1026		1.7931	1.7931
H6	2.1350	1.0993	3.4904	2.5327	1.7931		1.7656
H7	2.1350	1.0993	3.4904	2.5327	1.7931	1.7656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.439	C1	C2	H6	109.464
C1	C2	H7	109.464	C2	C1	S3	126.041
C2	C1	H4	115.100	S3	C1	H4	118.859
H5	C2	H6	109.758	H5	C2	H7	109.758
H6	C2	H7	106.848

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CISD/daug-cc-pVDZ

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: CISD/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)