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	hartrees
Energy at 0K	-476.189862
Energy at 298.15K	-476.193717
HF Energy	-475.615115
Nuclear repulsion energy	93.340400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3034	5.09
2	A'	3136	2977	18.00
3	A'	3078	2922	3.58
4	A'	1505	1428	6.18
5	A'	1405	1334	44.76
6	A'	1396	1326	16.00
7	A'	1201	1141	18.48
8	A'	1097	1042	1.91
9	A'	851	808	3.48
10	A'	398	378	1.48
11	A"	3138	2979	4.57
12	A"	1499	1423	8.81
13	A"	1061	1008	5.19
14	A"	785	745	13.73
15	A"	185	176	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.623	0.000
C2	-1.483	0.702	0.000
S3	0.872	-0.735	0.000
H4	0.513	1.579	0.000
H5	-1.927	-0.285	0.000
H6	-1.822	1.257	0.873
H7	-1.822	1.257	-0.873

	C1	C2	S3	H4	H5	H6	H7
C1		1.4851	1.6143	1.0842	2.1302	2.1170	2.1170
C2	1.4851		2.7590	2.1800	1.0824	1.0883	1.0883
S3	1.6143	2.7590		2.3413	2.8348	3.4620	3.4620
H4	1.0842	2.1800	2.3413		3.0702	2.5133	2.5133
H5	2.1302	1.0824	2.8348	3.0702		1.7750	1.7750
H6	2.1170	1.0883	3.4620	2.5133	1.7750		1.7464
H7	2.1170	1.0883	3.4620	2.5133	1.7750	1.7464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.158	C1	C2	H6	109.736
C1	C2	H7	109.736	C2	C1	S3	125.743
C2	C1	H4	115.199	S3	C1	H4	119.058
H5	C2	H6	109.703	H5	C2	H7	109.703
H6	C2	H7	106.704

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

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

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)