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	hartrees
Energy at 0K	-627.230476
Energy at 298.15K
HF Energy	-626.399340
Nuclear repulsion energy	272.848703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3276	3061	0.19
2	A₁	3153	2947	1.00
3	A₁	1521	1421	2.53
4	A₁	1421	1328	15.93
5	A₁	1184	1106	164.33
6	A₁	1052	983	0.19
7	A₁	717	670	12.34
8	A₁	491	459	26.72
9	A₁	278	260	2.14
10	A₂	3278	3063	0.00
11	A₂	1505	1406	0.00
12	A₂	980	915	0.00
13	A₂	294	274	0.00
14	A₂	199	186	0.00
15	B₁	3281	3066	1.55
16	B₁	1523	1423	9.29
17	B₁	1382	1291	225.53
18	B₁	1039	971	0.98
19	B₁	369	345	1.38
20	B₁	233	218	0.44
21	B₂	3275	3060	0.74
22	B₂	3151	2945	0.33
23	B₂	1511	1412	6.53
24	B₂	1403	1311	16.82
25	B₂	991	926	66.83
26	B₂	788	736	49.14
27	B₂	457	427	38.47

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.190
O2	-1.278	0.000	0.911
O3	1.278	0.000	0.911
C4	0.000	1.399	-0.914
C5	0.000	-1.399	-0.914
H6	0.000	2.281	-0.281
H7	0.000	-2.281	-0.281
H8	0.897	1.381	-1.525
H9	-0.897	1.381	-1.525
H10	-0.897	-1.381	-1.525
H11	0.897	-1.381	-1.525

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4673	1.4673	1.7817	1.7817	2.3296	2.3296	2.3776	2.3776	2.3776	2.3776
O2	1.4673		2.5556	2.6305	2.6305	2.8739	2.8739	3.5456	2.8263	2.8263	3.5456
O3	1.4673	2.5556		2.6305	2.6305	2.8739	2.8739	2.8263	3.5456	3.5456	2.8263
C4	1.7817	2.6305	2.6305		2.7975	1.0861	3.7342	1.0854	1.0854	2.9844	2.9844
C5	1.7817	2.6305	2.6305	2.7975		3.7342	1.0861	2.9844	2.9844	1.0854	1.0854
H6	2.3296	2.8739	2.8739	1.0861	3.7342		4.5630	1.7782	1.7782	3.9709	3.9709
H7	2.3296	2.8739	2.8739	3.7342	1.0861	4.5630		3.9709	3.9709	1.7782	1.7782
H8	2.3776	3.5456	2.8263	1.0854	2.9844	1.7782	3.9709		1.7935	3.2937	2.7626
H9	2.3776	2.8263	3.5456	1.0854	2.9844	1.7782	3.9709	1.7935		2.7626	3.2937
H10	2.3776	2.8263	3.5456	2.9844	1.0854	3.9709	1.7782	3.2937	2.7626		1.7935
H11	2.3776	3.5456	2.8263	2.9844	1.0854	3.9709	1.7782	2.7626	3.2937	1.7935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.093	S1	C4	H8	109.648
S1	C4	H9	109.648	S1	C5	H7	106.093
S1	C5	H10	109.648	S1	C5	H11	109.648
O2	S1	O3	121.114	O2	S1	C4	107.727
O2	S1	C5	107.727	O3	S1	C4	107.727
O3	S1	C5	107.727	C4	S1	C5	103.452
H6	C4	H8	109.948	H6	C4	H9	109.948
H7	C5	H10	109.948	H7	C5	H11	109.948
H8	C4	H9	111.416	H10	C5	H11	111.416

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

using model chemistry: MP2=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: MP2=FULL/6-31G**

States and conformations

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