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	hartrees
Energy at 0K	-627.444384
Energy at 298.15K
HF Energy	-626.454900
Nuclear repulsion energy	275.529420

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3217	3041	0.32
2	A₁	3111	2941	0.72
3	A₁	1487	1406	1.52
4	A₁	1391	1315	23.18
5	A₁	1206	1140	147.66
6	A₁	1029	973	2.19
7	A₁	719	680	8.88
8	A₁	504	476	26.10
9	A₁	276	261	2.38
10	A₂	3221	3045	0.00
11	A₂	1475	1395	0.00
12	A₂	952	900	0.00
13	A₂	296	280	0.00
14	A₂	182	172	0.00
15	B₁	3225	3049	1.56
16	B₁	1494	1413	2.05
17	B₁	1411	1334	222.01
18	B₁	1013	957	1.78
19	B₁	360	341	0.39
20	B₁	216	205	0.41
21	B₂	3215	3040	0.58
22	B₂	3109	2939	0.21
23	B₂	1478	1397	5.10
24	B₂	1375	1300	14.36
25	B₂	966	914	76.51
26	B₂	776	734	31.48
27	B₂	464	439	36.81

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.193
O2	-1.250	0.000	0.906
O3	1.250	0.000	0.906
C4	0.000	1.393	-0.912
C5	0.000	-1.393	-0.912
H6	0.000	2.279	-0.276
H7	0.000	-2.279	-0.276
H8	0.901	1.373	-1.524
H9	-0.901	1.373	-1.524
H10	-0.901	-1.373	-1.524
H11	0.901	-1.373	-1.524

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4388	1.4388	1.7775	1.7775	2.3268	2.3268	2.3757	2.3757	2.3757	2.3757
O2	1.4388		2.4993	2.6087	2.6087	2.8555	2.8555	3.5235	2.8130	2.8130	3.5235
O3	1.4388	2.4993		2.6087	2.6087	2.8555	2.8555	2.8130	3.5235	3.5235	2.8130
C4	1.7775	2.6087	2.6087		2.7852	1.0904	3.7261	1.0894	1.0894	2.9722	2.9722
C5	1.7775	2.6087	2.6087	2.7852		3.7261	1.0904	2.9722	2.9722	1.0894	1.0894
H6	2.3268	2.8555	2.8555	1.0904	3.7261		4.5579	1.7857	1.7857	3.9627	3.9627
H7	2.3268	2.8555	2.8555	3.7261	1.0904	4.5579		3.9627	3.9627	1.7857	1.7857
H8	2.3757	3.5235	2.8130	1.0894	2.9722	1.7857	3.9627		1.8014	3.2838	2.7456
H9	2.3757	2.8130	3.5235	1.0894	2.9722	1.7857	3.9627	1.8014		2.7456	3.2838
H10	2.3757	2.8130	3.5235	2.9722	1.0894	3.9627	1.7857	3.2838	2.7456		1.8014
H11	2.3757	3.5235	2.8130	2.9722	1.0894	3.9627	1.7857	2.7456	3.2838	1.8014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.956	S1	C4	H8	109.583
S1	C4	H9	109.583	S1	C5	H7	105.956
S1	C5	H10	109.583	S1	C5	H11	109.583
O2	S1	O3	120.569	O2	S1	C4	107.942
O2	S1	C5	107.942	O3	S1	C4	107.942
O3	S1	C5	107.942	C4	S1	C5	103.156
H6	C4	H8	110.011	H6	C4	H9	110.011
H7	C5	H10	110.011	H7	C5	H11	110.011
H8	C4	H9	111.541	H10	C5	H11	111.541

All results from a given calculation for C₂H₆O₂S (Dimethyl sulfone)

using model chemistry: CCSD/6-31G(2df,p)

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 C2H6O2S (Dimethyl sulfone)

using model chemistry: CCSD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₆O₂S (Dimethyl sulfone)