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	hartrees
Energy at 0K	-623.861782
Energy at 298.15K
HF Energy	-623.300240
Nuclear repulsion energy	272.535408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3187	3032	1.41
2	A₁	3100	2949	1.13
3	A₁	1566	1489	3.84
4	A₁	1472	1400	19.07
5	A₁	1203	1145	162.61
6	A₁	1077	1024	0.04
7	A₁	706	671	19.65
8	A₁	507	483	23.29
9	A₁	303	289	2.04
10	A₂	3195	3039	0.00
11	A₂	1549	1473	0.00
12	A₂	1009	960	0.00
13	A₂	291	277	0.00
14	A₂	208	198	0.00
15	B₁	3199	3044	4.39
16	B₁	1564	1488	16.26
17	B₁	1424	1354	182.17
18	B₁	1069	1017	2.71
19	B₁	373	355	1.72
20	B₁	237	225	0.53
21	B₂	3186	3030	0.00
22	B₂	3098	2947	0.02
23	B₂	1557	1481	10.44
24	B₂	1458	1387	28.99
25	B₂	1016	966	62.07
26	B₂	777	739	78.74
27	B₂	449	428	31.94

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.200
O2	-1.272	0.000	0.926
O3	1.272	0.000	0.926
C4	0.000	1.381	-0.930
C5	0.000	-1.381	-0.930
H6	0.000	2.294	-0.326
H7	0.000	-2.294	-0.326
H8	0.898	1.361	-1.552
H9	-0.898	1.361	-1.552
H10	-0.898	-1.361	-1.552
H11	0.898	-1.361	-1.552

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4650	1.4650	1.7841	1.7841	2.3533	2.3533	2.3937	2.3937	2.3937	2.3937
O2	1.4650		2.5447	2.6402	2.6402	2.9066	2.9066	3.5647	2.8523	2.8523	3.5647
O3	1.4650	2.5447		2.6402	2.6402	2.9066	2.9066	2.8523	3.5647	3.5647	2.8523
C4	1.7841	2.6402	2.6402		2.7613	1.0946	3.7237	1.0929	1.0929	2.9515	2.9515
C5	1.7841	2.6402	2.6402	2.7613		3.7237	1.0946	2.9515	2.9515	1.0929	1.0929
H6	2.3533	2.9066	2.9066	1.0946	3.7237		4.5874	1.7832	1.7832	3.9582	3.9582
H7	2.3533	2.9066	2.9066	3.7237	1.0946	4.5874		3.9582	3.9582	1.7832	1.7832
H8	2.3937	3.5647	2.8523	1.0929	2.9515	1.7832	3.9582		1.7963	3.2614	2.7222
H9	2.3937	2.8523	3.5647	1.0929	2.9515	1.7832	3.9582	1.7963		2.7222	3.2614
H10	2.3937	2.8523	3.5647	2.9515	1.0929	3.9582	1.7832	3.2614	2.7222		1.7963
H11	2.3937	3.5647	2.8523	2.9515	1.0929	3.9582	1.7832	2.7222	3.2614	1.7963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	107.229	S1	C4	H8	110.292
S1	C4	H9	110.292	S1	C5	H7	107.229
S1	C5	H10	110.292	S1	C5	H11	110.292
O2	S1	O3	120.565	O2	S1	C4	108.298
O2	S1	C5	108.298	O3	S1	C4	108.298
O3	S1	C5	108.298	C4	S1	C5	101.407
H6	C4	H8	109.212	H6	C4	H9	109.212
H7	C5	H10	109.212	H7	C5	H11	109.212
H8	C4	H9	110.533	H10	C5	H11	110.533

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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