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	hartrees
Energy at 0K	-628.036829
Energy at 298.15K
HF Energy	-627.760424
Nuclear repulsion energy	271.637346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3223	3223	0.61
2	A₁	3112	3112	1.50
3	A₁	1497	1497	2.50
4	A₁	1395	1395	12.71
5	A₁	1147	1147	157.41
6	A₁	1030	1030	0.18
7	A₁	683	683	11.42
8	A₁	479	479	24.72
9	A₁	270	270	2.32
10	A₂	3223	3223	0.00
11	A₂	1485	1485	0.00
12	A₂	963	963	0.00
13	A₂	285	285	0.00
14	A₂	189	189	0.00
15	B₁	3227	3227	2.84
16	B₁	1501	1501	10.79
17	B₁	1339	1339	206.77
18	B₁	1019	1019	0.72
19	B₁	359	359	0.83
20	B₁	219	219	0.45
21	B₂	3222	3222	0.48
22	B₂	3109	3109	0.04
23	B₂	1488	1488	7.25
24	B₂	1376	1376	11.48
25	B₂	973	973	62.60
26	B₂	757	757	50.23
27	B₂	443	443	35.87

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.192
O2	-1.279	0.000	0.916
O3	1.279	0.000	0.916
C4	0.000	1.411	-0.920
C5	0.000	-1.411	-0.920
H6	0.000	2.294	-0.283
H7	0.000	-2.294	-0.283
H8	0.899	1.393	-1.532
H9	-0.899	1.393	-1.532
H10	-0.899	-1.393	-1.532
H11	0.899	-1.393	-1.532

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4696	1.4696	1.7965	1.7965	2.3426	2.3426	2.3922	2.3922	2.3922	2.3922
O2	1.4696		2.5575	2.6454	2.6454	2.8873	2.8873	3.5608	2.8425	2.8425	3.5608
O3	1.4696	2.5575		2.6454	2.6454	2.8873	2.8873	2.8425	3.5608	3.5608	2.8425
C4	1.7965	2.6454	2.6454		2.8219	1.0884	3.7591	1.0880	1.0880	3.0077	3.0077
C5	1.7965	2.6454	2.6454	2.8219		3.7591	1.0884	3.0077	3.0077	1.0880	1.0880
H6	2.3426	2.8873	2.8873	1.0884	3.7591		4.5877	1.7831	1.7831	3.9952	3.9952
H7	2.3426	2.8873	2.8873	3.7591	1.0884	4.5877		3.9952	3.9952	1.7831	1.7831
H8	2.3922	3.5608	2.8425	1.0880	3.0077	1.7831	3.9952		1.7985	3.3162	2.7861
H9	2.3922	2.8425	3.5608	1.0880	3.0077	1.7831	3.9952	1.7985		2.7861	3.3162
H10	2.3922	2.8425	3.5608	3.0077	1.0880	3.9952	1.7831	3.3162	2.7861		1.7985
H11	2.3922	3.5608	2.8425	3.0077	1.0880	3.9952	1.7831	2.7861	3.3162	1.7985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.962	S1	C4	H8	109.596
S1	C4	H9	109.596	S1	C5	H7	105.962
S1	C5	H10	109.596	S1	C5	H11	109.596
O2	S1	O3	120.951	O2	S1	C4	107.761
O2	S1	C5	107.761	O3	S1	C4	107.761
O3	S1	C5	107.761	C4	S1	C5	103.512
H6	C4	H8	110.026	H6	C4	H9	110.026
H7	C5	H10	110.026	H7	C5	H11	110.026
H8	C4	H9	111.484	H10	C5	H11	111.484

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G**

States and conformations

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