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	hartrees
Energy at 0K	-476.024795
Energy at 298.15K	-476.028596
HF Energy	-475.575822
Nuclear repulsion energy	91.985745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3050	8.78
2	A'	3111	2985	23.75
3	A'	3050	2926	10.07
4	A'	1481	1421	4.45
5	A'	1407	1350	36.35
6	A'	1384	1328	24.71
7	A'	1179	1131	21.05
8	A'	1084	1040	3.85
9	A'	839	805	0.58
10	A'	394	378	1.75
11	A"	3121	2994	10.91
12	A"	1475	1415	7.71
13	A"	1045	1003	3.44
14	A"	764	733	11.56
15	A"	167	161	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.630	0.000
C2	-1.506	0.711	0.000
S3	0.886	-0.744	0.000
H4	0.515	1.608	0.000
H5	-1.961	-0.292	0.000
H6	-1.849	1.274	0.889
H7	-1.849	1.274	-0.889

	C1	C2	S3	H4	H5	H6	H7
C1		1.5077	1.6347	1.1055	2.1669	2.1503	2.1503
C2	1.5077		2.7993	2.2107	1.1016	1.1071	1.1071
S3	1.6347	2.7993		2.3812	2.8826	3.5132	3.5132
H4	1.1055	2.2107	2.3812		3.1210	2.5474	2.5474
H5	2.1669	1.1016	2.8826	3.1210		1.8045	1.8045
H6	2.1503	1.1071	3.5132	2.5474	1.8045		1.7784
H7	2.1503	1.1071	3.5132	2.5474	1.8045	1.7784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.340	C1	C2	H6	109.692
C1	C2	H7	109.692	C2	C1	S3	125.902
C2	C1	H4	114.676	S3	C1	H4	119.422
H5	C2	H6	109.574	H5	C2	H7	109.574
H6	C2	H7	106.864

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)