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	hartrees
Energy at 0K	-627.237076
Energy at 298.15K
HF Energy	-626.400648
Nuclear repulsion energy	271.364931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3213	3073	0.53
2	A₁	3096	2962	2.18
3	A₁	1461	1398	3.05
4	A₁	1360	1301	16.86
5	A₁	1153	1103	174.27
6	A₁	1012	969	0.19
7	A₁	702	672	11.83
8	A₁	480	459	32.06
9	A₁	268	257	1.84
10	A₂	3217	3078	0.00
11	A₂	1451	1388	0.00
12	A₂	929	889	0.00
13	A₂	285	273	0.00
14	A₂	179	171	0.00
15	B₁	3220	3081	2.41
16	B₁	1467	1403	6.91
17	B₁	1348	1289	229.10
18	B₁	994	951	0.41
19	B₁	351	335	1.76
20	B₁	213	203	0.57
21	B₂	3211	3072	0.37
22	B₂	3094	2960	0.11
23	B₂	1452	1389	6.08
24	B₂	1342	1284	11.31
25	B₂	950	909	71.38
26	B₂	761	728	45.34
27	B₂	448	428	46.74

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.193
O2	-1.282	0.000	0.915
O3	1.282	0.000	0.915
C4	0.000	1.406	-0.920
C5	0.000	-1.406	-0.920
H6	0.000	2.295	-0.270
H7	0.000	-2.295	-0.270
H8	0.912	1.387	-1.536
H9	-0.912	1.387	-1.536
H10	-0.912	-1.387	-1.536
H11	0.912	-1.387	-1.536

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4718	1.4718	1.7934	1.7934	2.3417	2.3417	2.3964	2.3964	2.3964	2.3964
O2	1.4718		2.5647	2.6440	2.6440	2.8842	2.8842	3.5701	2.8402	2.8402	3.5701
O3	1.4718	2.5647		2.6440	2.6440	2.8842	2.8842	2.8402	3.5701	3.5701	2.8402
C4	1.7934	2.6440	2.6440		2.8125	1.1015	3.7584	1.1007	1.1007	3.0017	3.0017
C5	1.7934	2.6440	2.6440	2.8125		3.7584	1.1015	3.0017	3.0017	1.1007	1.1007
H6	2.3417	2.8842	2.8842	1.1015	3.7584		4.5909	1.8057	1.8057	3.9989	3.9989
H7	2.3417	2.8842	2.8842	3.7584	1.1015	4.5909		3.9989	3.9989	1.8057	1.8057
H8	2.3964	3.5701	2.8402	1.1007	3.0017	1.8057	3.9989		1.8244	3.3193	2.7730
H9	2.3964	2.8402	3.5701	1.1007	3.0017	1.8057	3.9989	1.8244		2.7730	3.3193
H10	2.3964	2.8402	3.5701	3.0017	1.1007	3.9989	1.8057	3.3193	2.7730		1.8244
H11	2.3964	3.5701	2.8402	3.0017	1.1007	3.9989	1.8057	2.7730	3.3193	1.8244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.467	S1	C4	H8	109.454
S1	C4	H9	109.454	S1	C5	H7	105.467
S1	C5	H10	109.454	S1	C5	H11	109.454
O2	S1	O3	121.215	O2	S1	C4	107.734
O2	S1	C5	107.734	O3	S1	C4	107.734
O3	S1	C5	107.734	C4	S1	C5	103.278
H6	C4	H8	110.157	H6	C4	H9	110.157
H7	C5	H10	110.157	H7	C5	H11	110.157
H8	C4	H9	111.942	H10	C5	H11	111.942

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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