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	hartrees
Energy at 0K	-627.571468
Energy at 298.15K
HF Energy	-626.554686
Nuclear repulsion energy	276.147224

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3207	3025	0.06
2	A₁	3094	2919	1.20
3	A₁	1482	1398	3.14
4	A₁	1367	1290	24.34
5	A₁	1194	1127	151.18
6	A₁	1021	963	2.26
7	A₁	720	679	9.46
8	A₁	495	467	23.96
9	A₁	277	261	2.29
10	A₂	3213	3031	0.00
11	A₂	1467	1384	0.00
12	A₂	944	891	0.00
13	A₂	305	288	0.00
14	A₂	200	189	0.00
15	B₁	3217	3035	0.22
16	B₁	1486	1402	3.67
17	B₁	1386	1307	257.36
18	B₁	1003	946	1.38
19	B₁	366	346	0.48
20	B₁	235	222	0.36
21	B₂	3205	3024	1.54
22	B₂	3092	2917	0.47
23	B₂	1471	1388	5.67
24	B₂	1352	1276	20.23
25	B₂	952	898	70.66
26	B₂	776	732	31.87
27	B₂	466	440	33.77

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.251	0.000	0.904
O3	1.251	0.000	0.904
C4	0.000	1.385	-0.907
C5	0.000	-1.385	-0.907
H6	0.000	2.266	-0.268
H7	0.000	-2.266	-0.268
H8	0.900	1.364	-1.516
H9	-0.900	1.364	-1.516
H10	-0.900	-1.364	-1.516
H11	0.900	-1.364	-1.516

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4412	1.4412	1.7666	1.7666	2.3113	2.3113	2.3617	2.3617	2.3617	2.3617
O2	1.4412		2.5027	2.6011	2.6011	2.8413	2.8413	3.5135	2.8003	2.8003	3.5135
O3	1.4412	2.5027		2.6011	2.6011	2.8413	2.8413	2.8003	3.5135	3.5135	2.8003
C4	1.7666	2.6011	2.6011		2.7709	1.0877	3.7066	1.0864	1.0864	2.9567	2.9567
C5	1.7666	2.6011	2.6011	2.7709		3.7066	1.0877	2.9567	2.9567	1.0864	1.0864
H6	2.3113	2.8413	2.8413	1.0877	3.7066		4.5313	1.7828	1.7828	3.9426	3.9426
H7	2.3113	2.8413	2.8413	3.7066	1.0877	4.5313		3.9426	3.9426	1.7828	1.7828
H8	2.3617	3.5135	2.8003	1.0864	2.9567	1.7828	3.9426		1.7991	3.2686	2.7289
H9	2.3617	2.8003	3.5135	1.0864	2.9567	1.7828	3.9426	1.7991		2.7289	3.2686
H10	2.3617	2.8003	3.5135	2.9567	1.0864	3.9426	1.7828	3.2686	2.7289		1.7991
H11	2.3617	3.5135	2.8003	2.9567	1.0864	3.9426	1.7828	2.7289	3.2686	1.7991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.672	S1	C4	H8	109.424
S1	C4	H9	109.424	S1	C5	H7	105.672
S1	C5	H10	109.424	S1	C5	H11	109.424
O2	S1	O3	120.512	O2	S1	C4	107.929
O2	S1	C5	107.929	O3	S1	C4	107.929
O3	S1	C5	107.929	C4	S1	C5	103.299
H6	C4	H8	110.172	H6	C4	H9	110.172
H7	C5	H10	110.172	H7	C5	H11	110.172
H8	C4	H9	111.787	H10	C5	H11	111.787

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

using model chemistry: MP2/6-311+G(3df,2p)

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: MP2/6-311+G(3df,2p)

States and conformations

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