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	hartrees
Energy at 0K	-476.060531
Energy at 298.15K	-476.064339
HF Energy	-475.582260
Nuclear repulsion energy	92.101664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3161	9.45
2	A'	3120	3120	16.44
3	A'	3035	3035	8.36
4	A'	1478	1478	5.68
5	A'	1401	1401	43.12
6	A'	1382	1382	20.09
7	A'	1182	1182	22.03
8	A'	1084	1084	3.75
9	A'	840	840	0.79
10	A'	395	395	1.70
11	A"	3100	3100	9.40
12	A"	1467	1467	6.89
13	A"	1044	1044	6.09
14	A"	761	761	12.66
15	A"	170	170	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.630	0.000
C2	-1.503	0.712	0.000
S3	0.884	-0.745	0.000
H4	0.523	1.599	0.000
H5	-1.957	-0.289	0.000
H6	-1.844	1.275	0.888
H7	-1.844	1.275	-0.888

	C1	C2	S3	H4	H5	H6	H7
C1		1.5056	1.6340	1.1013	2.1623	2.1455	2.1455
C2	1.5056		2.7965	2.2119	1.0991	1.1049	1.1049
S3	1.6340	2.7965		2.3712	2.8776	3.5080	3.5080
H4	1.1013	2.2119	2.3712		3.1171	2.5481	2.5481
H5	2.1623	1.0991	2.8776	3.1171		1.8021	1.8021
H6	2.1455	1.1049	3.5080	2.5481	1.8021		1.7752
H7	2.1455	1.1049	3.5080	2.5481	1.8021	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.274	C1	C2	H6	109.589
C1	C2	H7	109.589	C2	C1	S3	125.875
C2	C1	H4	115.220	S3	C1	H4	118.906
H5	C2	H6	109.696	H5	C2	H7	109.696
H6	C2	H7	106.895

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCSD=FULL/aug-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=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)