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	hartrees
Energy at 0K	-476.159951
Energy at 298.15K	-476.163781
HF Energy	-475.617035
Nuclear repulsion energy	93.028010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3168	8.37
2	A'	3121	3121	15.88
3	A'	3047	3047	6.67
4	A'	1503	1503	5.07
5	A'	1418	1418	30.85
6	A'	1402	1402	31.39
7	A'	1189	1189	25.36
8	A'	1098	1098	3.76
9	A'	847	847	0.89
10	A'	396	396	1.86
11	A"	3107	3107	8.71
12	A"	1497	1497	7.80
13	A"	1065	1065	4.76
14	A"	777	777	12.71
15	A"	172	172	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.622	0.000
C2	-1.494	0.699	0.000
S3	0.879	-0.733	0.000
H4	0.510	1.584	0.000
H5	-1.940	-0.292	0.000
H6	-1.835	1.254	0.877
H7	-1.835	1.254	-0.877

	C1	C2	S3	H4	H5	H6	H7
C1		1.4961	1.6144	1.0887	2.1447	2.1296	2.1296
C2	1.4961		2.7714	2.1904	1.0866	1.0926	1.0926
S3	1.6144	2.7714		2.3454	2.8536	3.4756	3.4756
H4	1.0887	2.1904	2.3454		3.0855	2.5245	2.5245
H5	2.1447	1.0866	2.8536	3.0855		1.7808	1.7808
H6	2.1296	1.0926	3.4756	2.5245	1.7808		1.7544
H7	2.1296	1.0926	3.4756	2.5245	1.7808	1.7544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.287	C1	C2	H6	109.717
C1	C2	H7	109.717	C2	C1	S3	125.947
C2	C1	H4	114.954	S3	C1	H4	119.099
H5	C2	H6	109.602	H5	C2	H7	109.602
H6	C2	H7	106.812

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCSD/cc-pV(T+d)Z

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-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)