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	hartrees
Energy at 0K	-56.515382
Energy at 298.15K
HF Energy	-55.729723
Nuclear repulsion energy	108.167328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3215	3063	1.40
2	A₁	3089	2943	3.56
3	A₁	1496	1425	4.45
4	A₁	1400	1334	14.88
5	A₁	1138	1084	165.90
6	A₁	1035	986	2.01
7	A₁	692	660	9.17
8	A₁	463	441	25.76
9	A₁	265	253	1.99
10	A₂	3219	3067	0.00
11	A₂	1485	1415	0.00
12	A₂	963	918	0.00
13	A₂	291	277	0.00
14	A₂	179	170	0.00
15	B₁	3222	3070	3.78
16	B₁	1501	1430	14.10
17	B₁	1313	1251	253.57
18	B₁	1020	972	0.01
19	B₁	353	336	1.53
20	B₁	222	212	0.53
21	B₂	3214	3062	0.23
22	B₂	3087	2941	0.34
23	B₂	1486	1416	8.33
24	B₂	1380	1315	14.09
25	B₂	974	928	51.50
26	B₂	764	728	42.49
27	B₂	446	425	40.25

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.247
O2	-1.292	0.000	0.980
O3	1.292	0.000	0.980
C4	0.000	1.423	-0.865
C5	0.000	-1.423	-0.865
H6	0.000	2.302	-0.215
H7	0.000	-2.302	-0.215
H8	0.906	1.403	-1.474
H9	-0.906	1.403	-1.474
H10	-0.906	-1.403	-1.474
H11	0.906	-1.403	-1.474

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4854	1.4854	1.8053	1.8053	2.3476	2.3476	2.3978	2.3978	2.3978	2.3978
O2	1.4854		2.5831	2.6639	2.6639	2.8976	2.8976	3.5806	2.8536	2.8536	3.5806
O3	1.4854	2.5831		2.6639	2.6639	2.8976	2.8976	2.8536	3.5806	3.5806	2.8536
C4	1.8053	2.6639	2.6639		2.8457	1.0927	3.7807	1.0920	1.0920	3.0290	3.0290
C5	1.8053	2.6639	2.6639	2.8457		3.7807	1.0927	3.0290	3.0290	1.0920	1.0920
H6	2.3476	2.8976	2.8976	1.0927	3.7807		4.6035	1.7927	1.7927	4.0159	4.0159
H7	2.3476	2.8976	2.8976	3.7807	1.0927	4.6035		4.0159	4.0159	1.7927	1.7927
H8	2.3978	3.5806	2.8536	1.0920	3.0290	1.7927	4.0159		1.8110	3.3390	2.8052
H9	2.3978	2.8536	3.5806	1.0920	3.0290	1.7927	4.0159	1.8110		2.8052	3.3390
H10	2.3978	2.8536	3.5806	3.0290	1.0920	4.0159	1.7927	3.3390	2.8052		1.8110
H11	2.3978	3.5806	2.8536	3.0290	1.0920	4.0159	1.7927	2.8052	3.3390	1.8110

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.560	S1	C4	H8	109.221
S1	C4	H9	109.221	S1	C5	H7	105.560
S1	C5	H10	109.221	S1	C5	H11	109.221
O2	S1	O3	120.799	O2	S1	C4	107.700
O2	S1	C5	107.700	O3	S1	C4	107.700
O3	S1	C5	107.700	C4	S1	C5	104.022
H6	C4	H8	110.291	H6	C4	H9	110.291
H7	C5	H10	110.291	H7	C5	H11	110.291
H8	C4	H9	112.040	H10	C5	H11	112.040

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

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

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