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	hartrees
Energy at 0K	-627.266222
Energy at 298.15K
HF Energy	-626.407423
Nuclear repulsion energy	273.617394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3274	3050	0.32
2	A₁	3160	2944	1.59
3	A₁	1514	1410	3.82
4	A₁	1429	1331	13.69
5	A₁	1181	1101	198.32
6	A₁	1058	986	0.36
7	A₁	724	675	7.74
8	A₁	492	459	33.92
9	A₁	277	258	2.29
10	A₂	3276	3052	0.00
11	A₂	1503	1400	0.00
12	A₂	987	920	0.00
13	A₂	304	283	0.00
14	A₂	204	190	0.00
15	B₁	3280	3055	1.48
16	B₁	1519	1415	10.65
17	B₁	1362	1269	304.42
18	B₁	1046	975	0.20
19	B₁	367	342	1.97
20	B₁	235	219	0.39
21	B₂	3273	3049	0.52
22	B₂	3158	2942	0.02
23	B₂	1505	1402	5.53
24	B₂	1411	1314	13.63
25	B₂	997	929	61.57
26	B₂	797	743	42.30
27	B₂	465	433	48.44

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.186
O2	-1.269	0.000	0.910
O3	1.269	0.000	0.910
C4	0.000	1.402	-0.910
C5	0.000	-1.402	-0.910
H6	0.000	2.281	-0.273
H7	0.000	-2.281	-0.273
H8	0.898	1.382	-1.519
H9	-0.898	1.382	-1.519
H10	-0.898	-1.382	-1.519
H11	0.898	-1.382	-1.519

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4605	1.4605	1.7796	1.7796	2.3267	2.3267	2.3709	2.3709	2.3709	2.3709
O2	1.4605		2.5371	2.6243	2.6243	2.8655	2.8655	3.5354	2.8185	2.8185	3.5354
O3	1.4605	2.5371		2.6243	2.6243	2.8655	2.8655	2.8185	3.5354	3.5354	2.8185
C4	1.7796	2.6243	2.6243		2.8040	1.0855	3.7376	1.0848	1.0848	2.9874	2.9874
C5	1.7796	2.6243	2.6243	2.8040		3.7376	1.0855	2.9874	2.9874	1.0848	1.0848
H6	2.3267	2.8655	2.8655	1.0855	3.7376		4.5619	1.7795	1.7795	3.9714	3.9714
H7	2.3267	2.8655	2.8655	3.7376	1.0855	4.5619		3.9714	3.9714	1.7795	1.7795
H8	2.3709	3.5354	2.8185	1.0848	2.9874	1.7795	3.9714		1.7956	3.2953	2.7631
H9	2.3709	2.8185	3.5354	1.0848	2.9874	1.7795	3.9714	1.7956		2.7631	3.2953
H10	2.3709	2.8185	3.5354	2.9874	1.0848	3.9714	1.7795	3.2953	2.7631		1.7956
H11	2.3709	3.5354	2.8185	2.9874	1.0848	3.9714	1.7795	2.7631	3.2953	1.7956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.048	S1	C4	H8	109.313
S1	C4	H9	109.313	S1	C5	H7	106.048
S1	C5	H10	109.313	S1	C5	H11	109.313
O2	S1	O3	120.590	O2	S1	C4	107.771
O2	S1	C5	107.771	O3	S1	C4	107.771
O3	S1	C5	107.771	C4	S1	C5	103.959
H6	C4	H8	110.149	H6	C4	H9	110.149
H7	C5	H10	110.149	H7	C5	H11	110.149
H8	C4	H9	111.702	H10	C5	H11	111.702

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31+G**

States and conformations

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