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	hartrees
Energy at 0K	-627.821565
Energy at 298.15K
HF Energy	-626.569279
Nuclear repulsion energy	276.464758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3209	3209	0.06
2	A₁	3098	3098	1.14
3	A₁	1478	1478	2.93
4	A₁	1361	1361	27.28
5	A₁	1201	1201	147.74
6	A₁	1015	1015	3.24
7	A₁	716	716	11.03
8	A₁	497	497	25.05
9	A₁	275	275	2.26
10	A₂	3218	3218	0.00
11	A₂	1460	1460	0.00
12	A₂	933	933	0.00
13	A₂	302	302	0.00
14	A₂	188	188	0.00
15	B₁	3222	3222	0.35
16	B₁	1480	1480	1.60
17	B₁	1399	1399	239.87
18	B₁	995	995	1.53
19	B₁	365	365	0.57
20	B₁	229	229	0.41
21	B₂	3208	3208	1.25
22	B₂	3096	3096	0.51
23	B₂	1467	1467	5.35
24	B₂	1346	1346	21.59
25	B₂	945	945	78.23
26	B₂	770	770	34.14
27	B₂	466	466	35.38

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.250	0.000	0.903
O3	1.250	0.000	0.903
C4	0.000	1.383	-0.907
C5	0.000	-1.383	-0.907
H6	0.000	2.260	-0.267
H7	0.000	-2.260	-0.267
H8	0.898	1.364	-1.514
H9	-0.898	1.364	-1.514
H10	-0.898	-1.364	-1.514
H11	0.898	-1.364	-1.514

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4400	1.4400	1.7649	1.7649	2.3051	2.3051	2.3587	2.3587	2.3587	2.3587
O2	1.4400		2.5004	2.5989	2.5989	2.8353	2.8353	3.5092	2.7974	2.7974	3.5092
O3	1.4400	2.5004		2.5989	2.5989	2.8353	2.8353	2.7974	3.5092	3.5092	2.7974
C4	1.7649	2.5989	2.5989		2.7667	1.0851	3.6988	1.0835	1.0835	2.9528	2.9528
C5	1.7649	2.5989	2.5989	2.7667		3.6988	1.0851	2.9528	2.9528	1.0835	1.0835
H6	2.3051	2.8353	2.8353	1.0851	3.6988		4.5192	1.7784	1.7784	3.9353	3.9353
H7	2.3051	2.8353	2.8353	3.6988	1.0851	4.5192		3.9353	3.9353	1.7784	1.7784
H8	2.3587	3.5092	2.7974	1.0835	2.9528	1.7784	3.9353		1.7952	3.2649	2.7271
H9	2.3587	2.7974	3.5092	1.0835	2.9528	1.7784	3.9353	1.7952		2.7271	3.2649
H10	2.3587	2.7974	3.5092	2.9528	1.0835	3.9353	1.7784	3.2649	2.7271		1.7952
H11	2.3587	3.5092	2.7974	2.9528	1.0835	3.9353	1.7784	2.7271	3.2649	1.7952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.470	S1	C4	H8	109.468
S1	C4	H9	109.468	S1	C5	H7	105.470
S1	C5	H10	109.468	S1	C5	H11	109.468
O2	S1	O3	120.503	O2	S1	C4	107.946
O2	S1	C5	107.946	O3	S1	C4	107.946
O3	S1	C5	107.946	C4	S1	C5	103.228
H6	C4	H8	110.181	H6	C4	H9	110.181
H7	C5	H10	110.181	H7	C5	H11	110.181
H8	C4	H9	111.869	H10	C5	H11	111.869

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

using model chemistry: MP2=FULL/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: MP2=FULL/Def2TZVPP

States and conformations

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