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	hartrees
Energy at 0K	-628.360081
Energy at 298.15K
HF Energy	-628.360081
Nuclear repulsion energy	272.596618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3205	3066	0.12
2	A₁	3091	2957	1.71
3	A₁	1457	1394	4.34
4	A₁	1355	1296	17.37
5	A₁	1148	1098	178.84
6	A₁	1011	967	0.36
7	A₁	682	652	8.91
8	A₁	470	450	26.37
9	A₁	262	250	2.48
10	A₂	3207	3068	0.00
11	A₂	1447	1384	0.00
12	A₂	935	894	0.00
13	A₂	284	271	0.00
14	A₂	188	180	0.00
15	B₁	3211	3071	0.81
16	B₁	1463	1400	10.49
17	B₁	1330	1272	272.82
18	B₁	993	950	0.96
19	B₁	347	332	0.95
20	B₁	218	209	0.48
21	B₂	3204	3065	1.23
22	B₂	3089	2955	0.05
23	B₂	1447	1384	7.48
24	B₂	1335	1277	16.11
25	B₂	947	906	65.28
26	B₂	750	717	43.81
27	B₂	442	423	37.18

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.188
O2	-1.271	0.000	0.913
O3	1.271	0.000	0.913
C4	0.000	1.409	-0.915
C5	0.000	-1.409	-0.915
H6	0.000	2.288	-0.271
H7	0.000	-2.288	-0.271
H8	0.902	1.392	-1.526
H9	-0.902	1.392	-1.526
H10	-0.902	-1.392	-1.526
H11	0.902	-1.392	-1.526

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4635	1.4635	1.7893	1.7893	2.3341	2.3341	2.3853	2.3853	2.3853	2.3853
O2	1.4635		2.5430	2.6350	2.6350	2.8733	2.8733	3.5510	2.8324	2.8324	3.5510
O3	1.4635	2.5430		2.6350	2.6350	2.8733	2.8733	2.8324	3.5510	3.5510	2.8324
C4	1.7893	2.6350	2.6350		2.8173	1.0902	3.7527	1.0895	1.0895	3.0049	3.0049
C5	1.7893	2.6350	2.6350	2.8173		3.7527	1.0902	3.0049	3.0049	1.0895	1.0895
H6	2.3341	2.8733	2.8733	1.0902	3.7527		4.5768	1.7865	1.7865	3.9915	3.9915
H7	2.3341	2.8733	2.8733	3.7527	1.0902	4.5768		3.9915	3.9915	1.7865	1.7865
H8	2.3853	3.5510	2.8324	1.0895	3.0049	1.7865	3.9915		1.8038	3.3171	2.7837
H9	2.3853	2.8324	3.5510	1.0895	3.0049	1.7865	3.9915	1.8038		2.7837	3.3171
H10	2.3853	2.8324	3.5510	3.0049	1.0895	3.9915	1.7865	3.3171	2.7837		1.8038
H11	2.3853	3.5510	2.8324	3.0049	1.0895	3.9915	1.7865	2.7837	3.3171	1.8038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.727	S1	C4	H8	109.489
S1	C4	H9	109.489	S1	C5	H7	105.727
S1	C5	H10	109.489	S1	C5	H11	109.489
O2	S1	O3	120.634	O2	S1	C4	107.780
O2	S1	C5	107.780	O3	S1	C4	107.780
O3	S1	C5	107.780	C4	S1	C5	103.858
H6	C4	H8	110.097	H6	C4	H9	110.097
H7	C5	H10	110.097	H7	C5	H11	110.097
H8	C4	H9	111.759	H10	C5	H11	111.759

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

using model chemistry: B1B95/6-31+G**

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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Number	Element	Mulliken
1	S	0.867
2	O	-0.528
3	O	-0.528
4	C	-0.543
5	C	-0.543
6	H	0.228
7	H	0.228
8	H	0.205
9	H	0.205
10	H	0.205
11	H	0.205

<r²>	128.349
(<r²>)^1/2	11.329

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

using model chemistry: B1B95/6-31+G**

States and conformations

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