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	hartrees
Energy at 0K	-620.227904
Energy at 298.15K
HF Energy	-620.132024
Nuclear repulsion energy	248.911836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3548	3548	0.09
2	A₁	3334	3334	9.35
3	A₁	1661	1661	0.72
4	A₁	1424	1424	0.34
5	A₁	985	985	44.89
6	A₁	814	814	42.64
7	A₁	576	576	52.53
8	A₁	290	290	6.80
9	A₁	226	226	1.58
10	A₂	3545	3545	0.00
11	A₂	1664	1664	0.00
12	A₂	891	891	0.00
13	A₂	202	202	0.00
14	A₂	47	47	0.00
15	B₁	3546	3546	0.00
16	B₁	1670	1670	6.29
17	B₁	1035	1035	57.97
18	B₁	863	863	2.29
19	B₁	280	280	3.12
20	B₁	105	105	0.06
21	B₂	3547	3547	0.06
22	B₂	3331	3331	20.17
23	B₂	1657	1657	2.59
24	B₂	1405	1405	8.07
25	B₂	893	893	15.20
26	B₂	555	555	117.83
27	B₂	273	273	5.23

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.254
O2	-1.416	0.000	1.054
O3	1.416	0.000	1.054
C4	0.000	1.457	-1.086
C5	0.000	-1.457	-1.086
H6	0.000	2.412	-0.544
H7	0.000	-2.412	-0.544
H8	0.906	1.357	-1.699
H9	-0.906	1.357	-1.699
H10	-0.906	-1.357	-1.699
H11	0.906	-1.357	-1.699

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6265	1.6265	1.9791	1.9791	2.5402	2.5402	2.5447	2.5447	2.5447	2.5447
O2	1.6265		2.8320	2.9507	2.9507	3.2210	3.2210	3.8487	3.1111	3.1111	3.8487
O3	1.6265	2.8320		2.9507	2.9507	3.2210	3.2210	3.1111	3.8487	3.8487	3.1111
C4	1.9791	2.9507	2.9507		2.9132	1.0982	3.9061	1.0985	1.0985	3.0191	3.0191
C5	1.9791	2.9507	2.9507	2.9132		3.9061	1.0982	3.0191	3.0191	1.0985	1.0985
H6	2.5402	3.2210	3.2210	1.0982	3.9061		4.8233	1.8074	1.8074	4.0447	4.0447
H7	2.5402	3.2210	3.2210	3.9061	1.0982	4.8233		4.0447	4.0447	1.8074	1.8074
H8	2.5447	3.8487	3.1111	1.0985	3.0191	1.8074	4.0447		1.8127	3.2642	2.7146
H9	2.5447	3.1111	3.8487	1.0985	3.0191	1.8074	4.0447	1.8127		2.7146	3.2642
H10	2.5447	3.1111	3.8487	3.0191	1.0985	4.0447	1.8074	3.2642	2.7146		1.8127
H11	2.5447	3.8487	3.1111	3.0191	1.0985	4.0447	1.8074	2.7146	3.2642	1.8127

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	107.814	S1	C4	H8	108.120
S1	C4	H9	108.120	S1	C5	H7	107.814
S1	C5	H10	108.120	S1	C5	H11	108.120
O2	S1	O3	121.053	O2	S1	C4	109.456
O2	S1	C5	109.456	O3	S1	C4	109.456
O3	S1	C5	109.456	C4	S1	C5	94.784
H6	C4	H8	110.727	H6	C4	H9	110.727
H7	C5	H10	110.727	H7	C5	H11	110.727
H8	C4	H9	111.199	H10	C5	H11	111.199

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

using model chemistry: B2PLYP/STO-3G

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: B2PLYP/STO-3G

States and conformations

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