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	hartrees
Energy at 0K	-628.365802
Energy at 298.15K
HF Energy	-628.365802
Nuclear repulsion energy	275.211179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3190	3190	0.74
2	A₁	3077	3077	1.25
3	A₁	1456	1456	1.60
4	A₁	1353	1353	29.82
5	A₁	1210	1210	142.82
6	A₁	1008	1008	4.56
7	A₁	696	696	10.77
8	A₁	497	497	23.57
9	A₁	275	275	2.68
10	A₂	3192	3192	0.00
11	A₂	1452	1452	0.00
12	A₂	928	928	0.00
13	A₂	296	296	0.00
14	A₂	174	174	0.00
15	B₁	3196	3196	2.72
16	B₁	1473	1473	0.12
17	B₁	1419	1419	226.09
18	B₁	989	989	2.39
19	B₁	361	361	0.10
20	B₁	214	214	0.40
21	B₂	3189	3189	0.40
22	B₂	3075	3075	0.01
23	B₂	1446	1446	6.26
24	B₂	1337	1337	16.54
25	B₂	942	942	80.00
26	B₂	749	749	34.58
27	B₂	461	461	31.92

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.194
O2	-1.249	0.000	0.907
O3	1.249	0.000	0.907
C4	0.000	1.397	-0.914
C5	0.000	-1.397	-0.914
H6	0.000	2.283	-0.275
H7	0.000	-2.283	-0.275
H8	0.902	1.376	-1.526
H9	-0.902	1.376	-1.526
H10	-0.902	-1.376	-1.526
H11	0.902	-1.376	-1.526

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4383	1.4383	1.7831	1.7831	2.3304	2.3304	2.3803	2.3803	2.3803	2.3803
O2	1.4383		2.4976	2.6131	2.6131	2.8581	2.8581	3.5273	2.8171	2.8171	3.5273
O3	1.4383	2.4976		2.6131	2.6131	2.8581	2.8581	2.8171	3.5273	3.5273	2.8171
C4	1.7831	2.6131	2.6131		2.7949	1.0912	3.7350	1.0904	1.0904	2.9803	2.9803
C5	1.7831	2.6131	2.6131	2.7949		3.7350	1.0912	2.9803	2.9803	1.0904	1.0904
H6	2.3304	2.8581	2.8581	1.0912	3.7350		4.5652	1.7885	1.7885	3.9705	3.9705
H7	2.3304	2.8581	2.8581	3.7350	1.0912	4.5652		3.9705	3.9705	1.7885	1.7885
H8	2.3803	3.5273	2.8171	1.0904	2.9803	1.7885	3.9705		1.8040	3.2911	2.7526
H9	2.3803	2.8171	3.5273	1.0904	2.9803	1.7885	3.9705	1.8040		2.7526	3.2911
H10	2.3803	2.8171	3.5273	2.9803	1.0904	3.9705	1.7885	3.2911	2.7526		1.8040
H11	2.3803	3.5273	2.8171	2.9803	1.0904	3.9705	1.7885	2.7526	3.2911	1.8040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.812	S1	C4	H8	109.487
S1	C4	H9	109.487	S1	C5	H7	105.812
S1	C5	H10	109.487	S1	C5	H11	109.487
O2	S1	O3	120.514	O2	S1	C4	107.947
O2	S1	C5	107.947	O3	S1	C4	107.947
O3	S1	C5	107.947	C4	S1	C5	103.205
H6	C4	H8	110.130	H6	C4	H9	110.130
H7	C5	H10	110.130	H7	C5	H11	110.130
H8	C4	H9	111.626	H10	C5	H11	111.626

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

using model chemistry: wB97X-D/6-31G(2df,p)

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	0.511
2	O	-0.304
3	O	-0.304
4	C	-0.513
5	C	-0.513
6	H	0.203
7	H	0.203
8	H	0.179
9	H	0.179
10	H	0.179
11	H	0.179

<r²>	125.818
(<r²>)^1/2	11.217

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

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

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