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	hartrees
Energy at 0K	-627.053180
Energy at 298.15K
HF Energy	-626.391085
Nuclear repulsion energy	274.653543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3299	3055	0.35
2	A₁	3196	2959	1.19
3	A₁	1554	1438	3.45
4	A₁	1478	1368	20.96
5	A₁	1221	1130	194.25
6	A₁	1091	1010	0.07
7	A₁	750	695	8.63
8	A₁	516	478	35.66
9	A₁	286	265	2.63
10	A₂	3302	3057	0.00
11	A₂	1542	1428	0.00
12	A₂	1022	946	0.00
13	A₂	308	285	0.00
14	A₂	205	189	0.00
15	B₁	3306	3061	2.13
16	B₁	1559	1443	13.17
17	B₁	1415	1310	269.10
18	B₁	1082	1002	0.63
19	B₁	382	354	1.42
20	B₁	234	217	0.53
21	B₂	3298	3054	0.71
22	B₂	3192	2955	0.05
23	B₂	1545	1430	7.17
24	B₂	1461	1352	19.43
25	B₂	1035	958	76.99
26	B₂	827	765	42.02
27	B₂	480	445	51.96

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.186
O2	-1.260	0.000	0.906
O3	1.260	0.000	0.906
C4	0.000	1.399	-0.905
C5	0.000	-1.399	-0.905
H6	0.000	2.281	-0.272
H7	0.000	-2.281	-0.272
H8	0.896	1.386	-1.518
H9	-0.896	1.386	-1.518
H10	-0.896	-1.386	-1.518
H11	0.896	-1.386	-1.518

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4515	1.4515	1.7741	1.7741	2.3265	2.3265	2.3723	2.3723	2.3723	2.3723
O2	1.4515		2.5201	2.6129	2.6129	2.8599	2.8599	3.5281	2.8162	2.8162	3.5281
O3	1.4515	2.5201		2.6129	2.6129	2.8599	2.8599	2.8162	3.5281	3.5281	2.8162
C4	1.7741	2.6129	2.6129		2.7972	1.0862	3.7337	1.0854	1.0854	2.9890	2.9890
C5	1.7741	2.6129	2.6129	2.7972		3.7337	1.0862	2.9890	2.9890	1.0854	1.0854
H6	2.3265	2.8599	2.8599	1.0862	3.7337		4.5620	1.7763	1.7763	3.9755	3.9755
H7	2.3265	2.8599	2.8599	3.7337	1.0862	4.5620		3.9755	3.9755	1.7763	1.7763
H8	2.3723	3.5281	2.8162	1.0854	2.9890	1.7763	3.9755		1.7922	3.3015	2.7727
H9	2.3723	2.8162	3.5281	1.0854	2.9890	1.7763	3.9755	1.7922		2.7727	3.3015
H10	2.3723	2.8162	3.5281	2.9890	1.0854	3.9755	1.7763	3.3015	2.7727		1.7922
H11	2.3723	3.5281	2.8162	2.9890	1.0854	3.9755	1.7763	2.7727	3.3015	1.7922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.354	S1	C4	H8	109.764
S1	C4	H9	109.764	S1	C5	H7	106.354
S1	C5	H10	109.764	S1	C5	H11	109.764
O2	S1	O3	120.479	O2	S1	C4	107.781
O2	S1	C5	107.781	O3	S1	C4	107.781
O3	S1	C5	107.781	C4	S1	C5	104.064
H6	C4	H8	109.767	H6	C4	H9	109.767
H7	C5	H10	109.767	H7	C5	H11	109.767
H8	C4	H9	111.303	H10	C5	H11	111.303

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

using model chemistry: CISD/6-31G*

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: CISD/6-31G*

States and conformations

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