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	hartrees
Energy at 0K	-515.222271
Energy at 298.15K	-515.228066
HF Energy	-514.646541
Nuclear repulsion energy	152.674047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3198	3039	3.37
2	A₁	3065	2912	17.48
3	A₁	1515	1439	0.36
4	A₁	1410	1340	5.69
5	A₁	1343	1276	79.48
6	A₁	1043	991	0.11
7	A₁	725	689	0.58
8	A₁	377	358	0.06
9	A₂	3133	2977	0.00
10	A₂	1482	1408	0.00
11	A₂	920	874	0.00
12	A₂	48	46	0.00
13	B₁	3138	2982	20.75
14	B₁	1504	1429	23.93
15	B₁	1083	1029	1.01
16	B₁	437	415	4.39
17	B₁	157	149	0.85
18	B₂	3196	3037	8.56
19	B₂	3059	2907	3.81
20	B₂	1482	1408	5.52
21	B₂	1402	1332	17.21
22	B₂	1237	1176	6.95
23	B₂	947	900	0.72
24	B₂	393	373	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.248
S2	0.000	0.000	1.377
C3	0.000	1.266	-1.067
C4	0.000	-1.266	-1.067
H5	0.000	2.153	-0.433
H6	0.000	-2.153	-0.433
H7	0.881	1.284	-1.719
H8	-0.881	1.284	-1.719
H9	-0.881	-1.284	-1.719
H10	0.881	-1.284	-1.719

	C1	S2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.6243	1.5081	1.5081	2.1614	2.1614	2.1422	2.1422	2.1422	2.1422
S2	1.6243		2.7519	2.7519	2.8130	2.8130	3.4650	3.4650	3.4650	3.4650
C3	1.5081	2.7519		2.5328	1.0899	3.4780	1.0965	1.0965	2.7759	2.7759
C4	1.5081	2.7519	2.5328		3.4780	1.0899	2.7759	2.7759	1.0965	1.0965
H5	2.1614	2.8130	1.0899	3.4780		4.3069	1.7848	1.7848	3.7741	3.7741
H6	2.1614	2.8130	3.4780	1.0899	4.3069		3.7741	3.7741	1.7848	1.7848
H7	2.1422	3.4650	1.0965	2.7759	1.7848	3.7741		1.7626	3.1144	2.5676
H8	2.1422	3.4650	1.0965	2.7759	1.7848	3.7741	1.7626		2.5676	3.1144
H9	2.1422	3.4650	2.7759	1.0965	3.7741	1.7848	3.1144	2.5676		1.7626
H10	2.1422	3.4650	2.7759	1.0965	3.7741	1.7848	2.5676	3.1144	1.7626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	111.588	C1	C3	H7	109.651
C1	C3	H8	109.651	C1	C4	H6	111.588
C1	C4	H9	109.651	C1	C4	H10	109.651
S2	C1	C3	122.888	S2	C1	C4	122.888
C3	C1	C4	114.224	H5	C3	H7	109.433
H5	C3	H8	109.433	H6	C4	H9	109.433
H6	C4	H10	109.433	H7	C3	H8	106.974
H9	C4	H10	106.974

All results from a given calculation for CH₃CSCH₃ (Thioacetone)

using model chemistry: MP2/6-311G**

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 CH3CSCH3 (Thioacetone)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for CH₃CSCH₃ (Thioacetone)