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	hartrees
Energy at 0K	-628.486323
Energy at 298.15K
HF Energy	-628.486323
Nuclear repulsion energy	270.831772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3077	3064	2.82
2	A₁	2987	2975	2.59
3	A₁	1427	1421	2.49
4	A₁	1302	1297	12.50
5	A₁	1109	1104	142.14
6	A₁	973	969	0.20
7	A₁	611	608	15.59
8	A₁	460	458	16.86
9	A₁	259	258	2.33
10	A₂	3080	3067	0.00
11	A₂	1416	1410	0.00
12	A₂	901	897	0.00
13	A₂	279	278	0.00
14	A₂	169	168	0.00
15	B₁	3084	3071	5.80
16	B₁	1432	1426	6.10
17	B₁	1297	1292	198.03
18	B₁	954	950	0.35
19	B₁	341	340	0.28
20	B₁	199	198	0.43
21	B₂	3076	3063	0.08
22	B₂	2984	2972	0.20
23	B₂	1417	1411	5.95
24	B₂	1287	1281	7.86
25	B₂	908	905	57.48
26	B₂	677	674	59.56
27	B₂	428	426	24.32

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.197
O2	-1.270	0.000	0.920
O3	1.270	0.000	0.920
C4	0.000	1.430	-0.929
C5	0.000	-1.430	-0.929
H6	0.000	2.311	-0.280
H7	0.000	-2.311	-0.280
H8	0.905	1.412	-1.542
H9	-0.905	1.412	-1.542
H10	-0.905	-1.412	-1.542
H11	0.905	-1.412	-1.542

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4609	1.4609	1.8195	1.8195	2.3594	2.3594	2.4155	2.4155	2.4155	2.4155
O2	1.4609		2.5391	2.6594	2.6594	2.8967	2.8967	3.5750	2.8609	2.8609	3.5750
O3	1.4609	2.5391		2.6594	2.6594	2.8967	2.8967	2.8609	3.5750	3.5750	2.8609
C4	1.8195	2.6594	2.6594		2.8593	1.0942	3.7963	1.0933	1.0933	3.0445	3.0445
C5	1.8195	2.6594	2.6594	2.8593		3.7963	1.0942	3.0445	3.0445	1.0933	1.0933
H6	2.3594	2.8967	2.8967	1.0942	3.7963		4.6215	1.7942	1.7942	4.0334	4.0334
H7	2.3594	2.8967	2.8967	3.7963	1.0942	4.6215		4.0334	4.0334	1.7942	1.7942
H8	2.4155	3.5750	2.8609	1.0933	3.0445	1.7942	4.0334		1.8102	3.3540	2.8236
H9	2.4155	2.8609	3.5750	1.0933	3.0445	1.7942	4.0334	1.8102		2.8236	3.3540
H10	2.4155	2.8609	3.5750	3.0445	1.0933	4.0334	1.7942	3.3540	2.8236		1.8102
H11	2.4155	3.5750	2.8609	3.0445	1.0933	4.0334	1.7942	2.8236	3.3540	1.8102

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.426	S1	C4	H8	109.510
S1	C4	H9	109.510	S1	C5	H7	105.426
S1	C5	H10	109.510	S1	C5	H11	109.510
O2	S1	O3	120.683	O2	S1	C4	107.823
O2	S1	C5	107.823	O3	S1	C4	107.823
O3	S1	C5	107.823	C4	S1	C5	103.578
H6	C4	H8	110.218	H6	C4	H9	110.218
H7	C5	H10	110.218	H7	C5	H11	110.218
H8	C4	H9	111.761	H10	C5	H11	111.761

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

using model chemistry: BLYP/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	0.789
2	O	-0.439
3	O	-0.439
4	C	-0.289
5	C	-0.289
6	H	0.122
7	H	0.122
8	H	0.106
9	H	0.106
10	H	0.106
11	H	0.106

<r²>	130.131
(<r²>)^1/2	11.408

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

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

States and conformations

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