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	hartrees
Energy at 0K	-627.422575
Energy at 298.15K
HF Energy	-626.571337
Nuclear repulsion energy	278.929881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3289	3289	0.62
2	A₁	3188	3188	1.17
3	A₁	1537	1537	2.98
4	A₁	1446	1446	31.77
5	A₁	1271	1271	185.79
6	A₁	1069	1069	3.30
7	A₁	755	755	10.11
8	A₁	537	537	34.29
9	A₁	287	287	2.56
10	A₂	3296	3296	0.00
11	A₂	1522	1522	0.00
12	A₂	989	989	0.00
13	A₂	321	321	0.00
14	A₂	201	201	0.00
15	B₁	3301	3301	1.79
16	B₁	1541	1541	0.49
17	B₁	1470	1470	302.50
18	B₁	1052	1052	1.50
19	B₁	386	386	0.69
20	B₁	238	238	0.44
21	B₂	3288	3288	0.41
22	B₂	3186	3186	0.29
23	B₂	1527	1527	4.55
24	B₂	1429	1429	19.65
25	B₂	1001	1001	90.26
26	B₂	812	812	31.95
27	B₂	497	497	47.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.186
O2	-1.229	0.000	0.897
O3	1.229	0.000	0.897
C4	0.000	1.382	-0.898
C5	0.000	-1.382	-0.898
H6	0.000	2.256	-0.264
H7	0.000	-2.256	-0.264
H8	0.892	1.366	-1.504
H9	-0.892	1.366	-1.504
H10	-0.892	-1.366	-1.504
H11	0.892	-1.366	-1.504

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4199	1.4199	1.7562	1.7562	2.3003	2.3003	2.3490	2.3490	2.3490	2.3490
O2	1.4199		2.4585	2.5770	2.5770	2.8191	2.8191	3.4825	2.7828	2.7828	3.4825
O3	1.4199	2.4585		2.5770	2.5770	2.8191	2.8191	2.7828	3.4825	3.4825	2.7828
C4	1.7562	2.5770	2.5770		2.7638	1.0795	3.6925	1.0782	1.0782	2.9522	2.9522
C5	1.7562	2.5770	2.5770	2.7638		3.6925	1.0795	2.9522	2.9522	1.0782	1.0782
H6	2.3003	2.8191	2.8191	1.0795	3.6925		4.5117	1.7672	1.7672	3.9310	3.9310
H7	2.3003	2.8191	2.8191	3.6925	1.0795	4.5117		3.9310	3.9310	1.7672	1.7672
H8	2.3490	3.4825	2.7828	1.0782	2.9522	1.7672	3.9310		1.7833	3.2632	2.7328
H9	2.3490	2.7828	3.4825	1.0782	2.9522	1.7672	3.9310	1.7833		2.7328	3.2632
H10	2.3490	2.7828	3.4825	2.9522	1.0782	3.9310	1.7672	3.2632	2.7328		1.7833
H11	2.3490	3.4825	2.7828	2.9522	1.0782	3.9310	1.7672	2.7328	3.2632	1.7833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.945	S1	C4	H8	109.608
S1	C4	H9	109.608	S1	C5	H7	105.945
S1	C5	H10	109.608	S1	C5	H11	109.608
O2	S1	O3	119.929	O2	S1	C4	107.993
O2	S1	C5	107.993	O3	S1	C4	107.993
O3	S1	C5	107.993	C4	S1	C5	103.783
H6	C4	H8	109.972	H6	C4	H9	109.972
H7	C5	H10	109.972	H7	C5	H11	109.972
H8	C4	H9	111.578	H10	C5	H11	111.578

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

using model chemistry: CID/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: CID/Def2TZVPP

States and conformations

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