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	hartrees
Energy at 0K	-476.023640
Energy at 298.15K	-476.027449
HF Energy	-475.575962
Nuclear repulsion energy	92.079093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3013	8.61
2	A'	3117	2952	22.56
3	A'	3052	2891	9.99
4	A'	1483	1405	4.59
5	A'	1410	1336	38.64
6	A'	1388	1314	19.02
7	A'	1187	1124	18.12
8	A'	1087	1030	2.64
9	A'	845	800	1.05
10	A'	396	375	1.70
11	A"	3123	2958	10.81
12	A"	1475	1398	7.79
13	A"	1048	992	3.66
14	A"	766	725	12.07
15	A"	170	161	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.628	0.000
C2	-1.505	0.708	0.000
S3	0.886	-0.742	0.000
H4	0.514	1.607	0.000
H5	-1.959	-0.295	0.000
H6	-1.849	1.271	0.889
H7	-1.849	1.271	-0.889

	C1	C2	S3	H4	H5	H6	H7
C1		1.5071	1.6319	1.1051	2.1661	2.1500	2.1500
C2	1.5071		2.7963	2.2102	1.1014	1.1070	1.1070
S3	1.6319	2.7963		2.3778	2.8800	3.5104	3.5104
H4	1.1051	2.2102	2.3778		3.1202	2.5474	2.5474
H5	2.1661	1.1014	2.8800	3.1202		1.8042	1.8042
H6	2.1500	1.1070	3.5104	2.5474	1.8042		1.7780
H7	2.1500	1.1070	3.5104	2.5474	1.8042	1.7780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.330	C1	C2	H6	109.718
C1	C2	H7	109.718	C2	C1	S3	125.905
C2	C1	H4	114.707	S3	C1	H4	119.388
H5	C2	H6	109.562	H5	C2	H7	109.562
H6	C2	H7	106.846

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

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

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)