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	hartrees
Energy at 0K	-627.764230
Energy at 298.15K
HF Energy	-626.568346
Nuclear repulsion energy	278.134023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3211	3211	0.43
2	A₁	3127	3127	0.89
3	A₁	1495	1495	3.00
4	A₁	1388	1388	39.08
5	A₁	1247	1247	163.59
6	A₁	1030	1030	4.26
7	A₁	734	734	11.75
8	A₁	524	524	29.78
9	A₁	281	281	2.27
10	A₂	3218	3218	0.00
11	A₂	1482	1482	0.00
12	A₂	950	950	0.00
13	A₂	312	312	0.00
14	A₂	206	206	0.00
15	B₁	3223	3223	1.36
16	B₁	1502	1502	0.42
17	B₁	1451	1451	272.75
18	B₁	1015	1015	1.52
19	B₁	375	375	0.68
20	B₁	240	240	0.47
21	B₂	3209	3209	0.52
22	B₂	3125	3125	0.43
23	B₂	1485	1485	4.68
24	B₂	1371	1371	22.39
25	B₂	966	966	90.49
26	B₂	785	785	31.67
27	B₂	481	481	42.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.190
O2	-1.236	0.000	0.898
O3	1.236	0.000	0.898
C4	0.000	1.382	-0.903
C5	0.000	-1.382	-0.903
H6	0.000	2.259	-0.268
H7	0.000	-2.259	-0.268
H8	0.895	1.361	-1.509
H9	-0.895	1.361	-1.509
H10	-0.895	-1.361	-1.509
H11	0.895	-1.361	-1.509

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4242	1.4242	1.7618	1.7618	2.3048	2.3048	2.3544	2.3544	2.3544	2.3544
O2	1.4242		2.4717	2.5845	2.5845	2.8266	2.8266	3.4915	2.7865	2.7865	3.4915
O3	1.4242	2.4717		2.5845	2.5845	2.8266	2.8266	2.7865	3.4915	3.4915	2.7865
C4	1.7618	2.5845	2.5845		2.7632	1.0828	3.6953	1.0815	1.0815	2.9483	2.9483
C5	1.7618	2.5845	2.5845	2.7632		3.6953	1.0828	2.9483	2.9483	1.0815	1.0815
H6	2.3048	2.8266	2.8266	1.0828	3.6953		4.5175	1.7741	1.7741	3.9303	3.9303
H7	2.3048	2.8266	2.8266	3.6953	1.0828	4.5175		3.9303	3.9303	1.7741	1.7741
H8	2.3544	3.4915	2.7865	1.0815	2.9483	1.7741	3.9303		1.7905	3.2586	2.7226
H9	2.3544	2.7865	3.4915	1.0815	2.9483	1.7741	3.9303	1.7905		2.7226	3.2586
H10	2.3544	2.7865	3.4915	2.9483	1.0815	3.9303	1.7741	3.2586	2.7226		1.7905
H11	2.3544	3.4915	2.7865	2.9483	1.0815	3.9303	1.7741	2.7226	3.2586	1.7905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.753	S1	C4	H8	109.464
S1	C4	H9	109.464	S1	C5	H7	105.753
S1	C5	H10	109.464	S1	C5	H11	109.464
O2	S1	O3	120.400	O2	S1	C4	107.962
O2	S1	C5	107.962	O3	S1	C4	107.962
O3	S1	C5	107.962	C4	S1	C5	103.291
H6	C4	H8	110.114	H6	C4	H9	110.114
H7	C5	H10	110.114	H7	C5	H11	110.114
H8	C4	H9	111.751	H10	C5	H11	111.751

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

using model chemistry: MP3=FULL/cc-pV(T+d)Z

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: MP3=FULL/cc-pV(T+d)Z

States and conformations

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