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	hartrees
Energy at 0K	-475.983856
Energy at 298.15K	-475.987703
HF Energy	-475.558125
Nuclear repulsion energy	92.970935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3256	3042	6.90
2	A'	3177	2969	21.28
3	A'	3120	2915	4.93
4	A'	1541	1440	3.71
5	A'	1451	1356	32.88
6	A'	1434	1340	22.40
7	A'	1219	1139	15.00
8	A'	1120	1047	1.29
9	A'	860	804	3.03
10	A'	407	381	1.07
11	A"	3202	2992	7.99
12	A"	1534	1434	8.53
13	A"	1082	1011	4.57
14	A"	787	735	15.52
15	A"	174	162	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.622	0.000
C2	-1.491	0.707	0.000
S3	0.877	-0.737	0.000
H4	0.512	1.584	0.000
H5	-1.941	-0.281	0.000
H6	-1.830	1.261	0.876
H7	-1.830	1.261	-0.876

	C1	C2	S3	H4	H5	H6	H7
C1		1.4936	1.6183	1.0892	2.1412	2.1268	2.1268
C2	1.4936		2.7741	2.1866	1.0855	1.0906	1.0906
S3	1.6183	2.7741		2.3501	2.8553	3.4769	3.4769
H4	1.0892	2.1866	2.3501		3.0814	2.5207	2.5207
H5	2.1412	1.0855	2.8553	3.0814		1.7770	1.7770
H6	2.1268	1.0906	3.4769	2.5207	1.7770		1.7523
H7	2.1268	1.0906	3.4769	2.5207	1.7770	1.7523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.259	C1	C2	H6	109.787
C1	C2	H7	109.787	C2	C1	S3	126.064
C2	C1	H4	114.779	S3	C1	H4	119.157
H5	C2	H6	109.497	H5	C2	H7	109.497
H6	C2	H7	106.913

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP2=FULL/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)