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	hartrees
Energy at 0K	-627.665772
Energy at 298.15K
HF Energy	-626.567342
Nuclear repulsion energy	274.618801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3167	3167
2	A₁	3062	3062
3	A₁	1467	1467
4	A₁	1352	1352
5	A₁	1166	1166
6	A₁	1003	1003
7	A₁	692	692
8	A₁	483	483
9	A₁	268	268
10	A₂	3173	3173
11	A₂	1450	1450
12	A₂	925	925
13	A₂	296	296
14	A₂	181	181
15	B₁	3176	3176
16	B₁	1467	1467
17	B₁	1360	1360
18	B₁	983	983
19	B₁	357	357
20	B₁	223	223
21	B₂	3166	3166
22	B₂	3060	3060
23	B₂	1455	1455
24	B₂	1337	1337
25	B₂	936	936
26	B₂	752	752
27	B₂	453	453

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.192
O2	-1.258	0.000	0.910
O3	1.258	0.000	0.910
C4	0.000	1.393	-0.915
C5	0.000	-1.393	-0.915
H6	0.000	2.276	-0.276
H7	0.000	-2.276	-0.276
H8	0.901	1.370	-1.525
H9	-0.901	1.370	-1.525
H10	-0.901	-1.370	-1.525
H11	0.901	-1.370	-1.525

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4487	1.4487	1.7789	1.7789	2.3234	2.3234	2.3744	2.3744	2.3744	2.3744
O2	1.4487		2.5162	2.6179	2.6179	2.8581	2.8581	3.5315	2.8171	2.8171	3.5315
O3	1.4487	2.5162		2.6179	2.6179	2.8581	2.8581	2.8171	3.5315	3.5315	2.8171
C4	1.7789	2.6179	2.6179		2.7857	1.0900	3.7239	1.0888	1.0888	2.9697	2.9697
C5	1.7789	2.6179	2.6179	2.7857		3.7239	1.0900	2.9697	2.9697	1.0888	1.0888
H6	2.3234	2.8581	2.8581	1.0900	3.7239		4.5516	1.7871	1.7871	3.9581	3.9581
H7	2.3234	2.8581	2.8581	3.7239	1.0900	4.5516		3.9581	3.9581	1.7871	1.7871
H8	2.3744	3.5315	2.8171	1.0888	2.9697	1.7871	3.9581		1.8025	3.2800	2.7403
H9	2.3744	2.8171	3.5315	1.0888	2.9697	1.7871	3.9581	1.8025		2.7403	3.2800
H10	2.3744	2.8171	3.5315	2.9697	1.0888	3.9581	1.7871	3.2800	2.7403		1.8025
H11	2.3744	3.5315	2.8171	2.9697	1.0888	3.9581	1.7871	2.7403	3.2800	1.8025

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.638	S1	C4	H8	109.419
S1	C4	H9	109.419	S1	C5	H7	105.638
S1	C5	H10	109.419	S1	C5	H11	109.419
O2	S1	O3	120.547	O2	S1	C4	107.967
O2	S1	C5	107.967	O3	S1	C4	107.967
O3	S1	C5	107.967	C4	S1	C5	103.064
H6	C4	H8	110.217	H6	C4	H9	110.217
H7	C5	H10	110.217	H7	C5	H11	110.217
H8	C4	H9	111.743	H10	C5	H11	111.743

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

using model chemistry: MP4/Def2TZVPP

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: MP4/Def2TZVPP

States and conformations

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