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	hartrees
Energy at 0K	-476.212802
Energy at 298.15K	-476.216628
HF Energy	-475.616573
Nuclear repulsion energy	93.349603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3183	4.56
2	A'	3129	3129	15.96
3	A'	3070	3070	3.39
4	A'	1506	1506	6.83
5	A'	1410	1410	24.89
6	A'	1397	1397	37.78
7	A'	1199	1199	19.00
8	A'	1097	1097	2.31
9	A'	851	851	3.19
10	A'	400	400	1.33
11	A"	3128	3128	3.54
12	A"	1499	1499	8.52
13	A"	1067	1067	5.91
14	A"	778	778	14.51
15	A"	173	173	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.624	0.000
C2	-1.482	0.702	0.000
S3	0.872	-0.735	0.000
H4	0.514	1.579	0.000
H5	-1.925	-0.288	0.000
H6	-1.823	1.256	0.874
H7	-1.823	1.256	-0.874

	C1	C2	S3	H4	H5	H6	H7
C1		1.4839	1.6142	1.0846	2.1299	2.1180	2.1180
C2	1.4839		2.7574	2.1802	1.0843	1.0898	1.0898
S3	1.6142	2.7574		2.3410	2.8321	3.4621	3.4621
H4	1.0846	2.1802	2.3410		3.0714	2.5157	2.5157
H5	2.1299	1.0843	2.8321	3.0714		1.7771	1.7771
H6	2.1180	1.0898	3.4621	2.5157	1.7771		1.7490
H7	2.1180	1.0898	3.4621	2.5157	1.7771	1.7490

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.104	C1	C2	H6	109.807
C1	C2	H7	109.807	C2	C1	S3	125.698
C2	C1	H4	115.282	S3	C1	H4	119.021
H5	C2	H6	109.650	H5	C2	H7	109.650
H6	C2	H7	106.724

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2=FULL/daug-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: MP2=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)