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	hartrees
Energy at 0K	-627.256442
Energy at 298.15K
HF Energy	-626.405634
Nuclear repulsion energy	271.961216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3241	3064	0.82
2	A₁	3127	2957	2.83
3	A₁	1506	1423	3.26
4	A₁	1419	1341	8.05
5	A₁	1144	1081	167.48
6	A₁	1042	985	6.29
7	A₁	704	666	6.56
8	A₁	476	450	30.42
9	A₁	272	257	2.21
10	A₂	3240	3063	0.00
11	A₂	1494	1413	0.00
12	A₂	982	928	0.00
13	A₂	296	280	0.00
14	A₂	197	187	0.00
15	B₁	3243	3066	2.57
16	B₁	1509	1427	10.60
17	B₁	1313	1242	261.89
18	B₁	1036	979	0.00
19	B₁	359	340	1.97
20	B₁	228	216	0.34
21	B₂	3240	3063	0.26
22	B₂	3125	2954	0.18
23	B₂	1498	1416	5.87
24	B₂	1400	1324	9.10
25	B₂	990	936	49.88
26	B₂	783	740	42.91
27	B₂	451	426	43.87

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.187
O2	-1.279	0.000	0.915
O3	1.279	0.000	0.915
C4	0.000	1.409	-0.915
C5	0.000	-1.409	-0.915
H6	0.000	2.291	-0.278
H7	0.000	-2.291	-0.278
H8	0.900	1.386	-1.526
H9	-0.900	1.386	-1.526
H10	-0.900	-1.386	-1.526
H11	0.900	-1.386	-1.526

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4719	1.4719	1.7887	1.7887	2.3379	2.3379	2.3808	2.3808	2.3808	2.3808
O2	1.4719		2.5588	2.6402	2.6402	2.8827	2.8827	3.5541	2.8330	2.8330	3.5541
O3	1.4719	2.5588		2.6402	2.6402	2.8827	2.8827	2.8330	3.5541	3.5541	2.8330
C4	1.7887	2.6402	2.6402		2.8171	1.0883	3.7540	1.0880	1.0880	2.9992	2.9992
C5	1.7887	2.6402	2.6402	2.8171		3.7540	1.0883	2.9992	2.9992	1.0880	1.0880
H6	2.3379	2.8827	2.8827	1.0883	3.7540		4.5821	1.7849	1.7849	3.9863	3.9863
H7	2.3379	2.8827	2.8827	3.7540	1.0883	4.5821		3.9863	3.9863	1.7849	1.7849
H8	2.3808	3.5541	2.8330	1.0880	2.9992	1.7849	3.9863		1.7998	3.3057	2.7728
H9	2.3808	2.8330	3.5541	1.0880	2.9992	1.7849	3.9863	1.7998		2.7728	3.3057
H10	2.3808	2.8330	3.5541	2.9992	1.0880	3.9863	1.7849	3.3057	2.7728		1.7998
H11	2.3808	3.5541	2.8330	2.9992	1.0880	3.9863	1.7849	2.7728	3.3057	1.7998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.134	S1	C4	H8	109.279
S1	C4	H9	109.279	S1	C5	H7	106.134
S1	C5	H10	109.279	S1	C5	H11	109.279
O2	S1	O3	120.739	O2	S1	C4	107.742
O2	S1	C5	107.742	O3	S1	C4	107.742
O3	S1	C5	107.742	C4	S1	C5	103.899
H6	C4	H8	110.193	H6	C4	H9	110.193
H7	C5	H10	110.193	H7	C5	H11	110.193
H8	C4	H9	111.605	H10	C5	H11	111.605

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

using model chemistry: QCISD/6-31+G**

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: QCISD/6-31+G**

States and conformations

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