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	hartrees
Energy at 0K	-626.384136
Energy at 298.15K
HF Energy	-626.384136
Nuclear repulsion energy	276.522269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3095	3064	0.20
2	A₁	2989	2959	0.36
3	A₁	1375	1361	3.53
4	A₁	1269	1256	59.46
5	A₁	1177	1165	113.08
6	A₁	961	951	6.92
7	A₁	691	684	10.89
8	A₁	481	476	21.52
9	A₁	263	260	3.04
10	A₂	3103	3071	0.00
11	A₂	1360	1346	0.00
12	A₂	875	866	0.00
13	A₂	287	284	0.00
14	A₂	171	170	0.00
15	B₁	3106	3075	0.07
16	B₁	1396	1382	61.88
17	B₁	1367	1353	158.07
18	B₁	938	928	3.09
19	B₁	347	344	0.07
20	B₁	209	207	0.63
21	B₂	3094	3063	3.88
22	B₂	2987	2957	2.77
23	B₂	1362	1348	7.24
24	B₂	1249	1236	40.67
25	B₂	899	890	97.66
26	B₂	735	727	27.59
27	B₂	446	441	29.43

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.186
O2	-1.249	0.000	0.900
O3	1.249	0.000	0.900
C4	0.000	1.382	-0.902
C5	0.000	-1.382	-0.902
H6	0.000	2.264	-0.248
H7	0.000	-2.264	-0.248
H8	0.909	1.372	-1.516
H9	-0.909	1.372	-1.516
H10	-0.909	-1.372	-1.516
H11	0.909	-1.372	-1.516

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4392	1.4392	1.7589	1.7589	2.3055	2.3055	2.3668	2.3668	2.3668	2.3668
O2	1.4392		2.4987	2.5921	2.5921	2.8295	2.8295	3.5177	2.7988	2.7988	3.5177
O3	1.4392	2.4987		2.5921	2.5921	2.8295	2.8295	2.7988	3.5177	3.5177	2.7988
C4	1.7589	2.5921	2.5921		2.7647	1.0980	3.7049	1.0965	1.0965	2.9642	2.9642
C5	1.7589	2.5921	2.5921	2.7647		3.7049	1.0980	2.9642	2.9642	1.0965	1.0965
H6	2.3055	2.8295	2.8295	1.0980	3.7049		4.5288	1.7972	1.7972	3.9565	3.9565
H7	2.3055	2.8295	2.8295	3.7049	1.0980	4.5288		3.9565	3.9565	1.7972	1.7972
H8	2.3668	3.5177	2.7988	1.0965	2.9642	1.7972	3.9565		1.8172	3.2905	2.7433
H9	2.3668	2.7988	3.5177	1.0965	2.9642	1.7972	3.9565	1.8172		2.7433	3.2905
H10	2.3668	2.7988	3.5177	2.9642	1.0965	3.9565	1.7972	3.2905	2.7433		1.8172
H11	2.3668	3.5177	2.7988	2.9642	1.0965	3.9565	1.7972	2.7433	3.2905	1.8172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.251	S1	C4	H8	109.783
S1	C4	H9	109.783	S1	C5	H7	105.251
S1	C5	H10	109.783	S1	C5	H11	109.783
O2	S1	O3	120.480	O2	S1	C4	107.874
O2	S1	C5	107.874	O3	S1	C4	107.874
O3	S1	C5	107.874	C4	S1	C5	103.611
H6	C4	H8	109.953	H6	C4	H9	109.953
H7	C5	H10	109.953	H7	C5	H11	109.953
H8	C4	H9	111.907	H10	C5	H11	111.907

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

using model chemistry: LSDA/cc-pV(T+d)Z

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	0.661
2	O	-0.393
3	O	-0.393
4	C	-0.356
5	C	-0.356
6	H	0.152
7	H	0.152
8	H	0.133
9	H	0.133
10	H	0.133
11	H	0.133

<r²>	124.983
(<r²>)^1/2	11.180

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

using model chemistry: LSDA/cc-pV(T+d)Z

States and conformations

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