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	hartrees
Energy at 0K	-627.096271
Energy at 298.15K
HF Energy	-626.402364
Nuclear repulsion energy	273.362043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3300	3049	0.18
2	A₁	3183	2941	1.87
3	A₁	1505	1391	3.54
4	A₁	1411	1304	18.91
5	A₁	1188	1097	190.80
6	A₁	1049	970	0.04
7	A₁	731	676	9.62
8	A₁	498	460	37.16
9	A₁	278	256	2.20
10	A₂	3305	3054	0.00
11	A₂	1495	1381	0.00
12	A₂	966	892	0.00
13	A₂	298	275	0.00
14	A₂	189	175	0.00
15	B₁	3309	3057	1.57
16	B₁	1511	1396	8.43
17	B₁	1381	1276	252.87
18	B₁	1031	953	0.43
19	B₁	363	335	1.65
20	B₁	223	206	0.64
21	B₂	3299	3048	0.85
22	B₂	3179	2938	0.02
23	B₂	1495	1382	6.30
24	B₂	1394	1288	12.84
25	B₂	985	910	78.54
26	B₂	795	734	41.09
27	B₂	465	430	54.09

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.187
O2	-1.271	0.000	0.909
O3	1.271	0.000	0.909
C4	0.000	1.400	-0.911
C5	0.000	-1.400	-0.911
H6	0.000	2.281	-0.264
H7	0.000	-2.281	-0.264
H8	0.905	1.383	-1.522
H9	-0.905	1.383	-1.522
H10	-0.905	-1.383	-1.522
H11	0.905	-1.383	-1.522

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4615	1.4615	1.7794	1.7794	2.3250	2.3250	2.3779	2.3779	2.3779	2.3779
O2	1.4615		2.5411	2.6246	2.6246	2.8623	2.8623	3.5439	2.8213	2.8213	3.5439
O3	1.4615	2.5411		2.6246	2.6246	2.8623	2.8623	2.8213	3.5439	3.5439	2.8213
C4	1.7794	2.6246	2.6246		2.7999	1.0932	3.7373	1.0922	1.0922	2.9896	2.9896
C5	1.7794	2.6246	2.6246	2.7999		3.7373	1.0932	2.9896	2.9896	1.0922	1.0922
H6	2.3250	2.8623	2.8623	1.0932	3.7373		4.5617	1.7915	1.7915	3.9784	3.9784
H7	2.3250	2.8623	2.8623	3.7373	1.0932	4.5617		3.9784	3.9784	1.7915	1.7915
H8	2.3779	3.5439	2.8213	1.0922	2.9896	1.7915	3.9784		1.8100	3.3057	2.7661
H9	2.3779	2.8213	3.5439	1.0922	2.9896	1.7915	3.9784	1.8100		2.7661	3.3057
H10	2.3779	2.8213	3.5439	2.9896	1.0922	3.9784	1.7915	3.3057	2.7661		1.8100
H11	2.3779	3.5439	2.8213	2.9896	1.0922	3.9784	1.7915	2.7661	3.3057	1.8100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.572	S1	C4	H8	109.467
S1	C4	H9	109.467	S1	C5	H7	105.572
S1	C5	H10	109.467	S1	C5	H11	109.467
O2	S1	O3	120.770	O2	S1	C4	107.759
O2	S1	C5	107.759	O3	S1	C4	107.759
O3	S1	C5	107.759	C4	S1	C5	103.772
H6	C4	H8	110.116	H6	C4	H9	110.116
H7	C5	H10	110.116	H7	C5	H11	110.116
H8	C4	H9	111.904	H10	C5	H11	111.904

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

using model chemistry: CID/cc-pVDZ

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/cc-pVDZ

States and conformations

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