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	hartrees
Energy at 0K	-476.005570
Energy at 298.15K	-476.009378
HF Energy	-475.559642
Nuclear repulsion energy	92.539160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3038	10.73
2	A'	3164	2992	19.93
3	A'	3087	2919	9.84
4	A'	1528	1445	4.79
5	A'	1451	1372	25.61
6	A'	1428	1350	37.00
7	A'	1193	1127	27.49
8	A'	1112	1051	4.55
9	A'	846	800	0.15
10	A'	402	380	1.00
11	A"	3155	2983	11.32
12	A"	1516	1433	8.42
13	A"	1071	1013	7.23
14	A"	777	734	14.33
15	A"	159	150	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.626	0.000
C2	-1.498	0.714	0.000
S3	0.881	-0.743	0.000
H4	0.516	1.586	0.000
H5	-1.952	-0.275	0.000
H6	-1.834	1.270	0.880
H7	-1.834	1.270	-0.880

	C1	C2	S3	H4	H5	H6	H7
C1		1.5003	1.6275	1.0899	2.1499	2.1337	2.1337
C2	1.5003		2.7890	2.1944	1.0881	1.0935	1.0935
S3	1.6275	2.7890		2.3570	2.8713	3.4921	3.4921
H4	1.0899	2.1944	2.3570		3.0910	2.5292	2.5292
H5	2.1499	1.0881	2.8713	3.0910		1.7813	1.7813
H6	2.1337	1.0935	3.4921	2.5292	1.7813		1.7591
H7	2.1337	1.0935	3.4921	2.5292	1.7813	1.7591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.323	C1	C2	H6	109.694
C1	C2	H7	109.694	C2	C1	S3	126.126
C2	C1	H4	114.892	S3	C1	H4	118.982
H5	C2	H6	109.470	H5	C2	H7	109.470
H6	C2	H7	107.093

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: QCISD/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)