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	hartrees
Energy at 0K	-628.209232
Energy at 298.15K	-628.201995
HF Energy	-628.451335
Nuclear repulsion energy	273.444074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	3054	1.38
2	A₁	3063	2955	1.44
3	A₁	1459	1408	1.24
4	A₁	1345	1298	16.35
5	A₁	1165	1124	142.34
6	A₁	1002	967	1.87
7	A₁	664	641	11.43
8	A₁	482	465	20.77
9	A₁	268	258	2.54
10	A₂	3166	3055	0.00
11	A₂	1445	1395	0.00
12	A₂	923	890	0.00
13	A₂	285	275	0.00
14	A₂	174	168	0.00
15	B₁	3170	3059	4.10
16	B₁	1463	1412	3.24
17	B₁	1366	1318	201.41
18	B₁	981	947	1.58
19	B₁	349	337	0.14
20	B₁	205	198	0.42
21	B₂	3164	3053	0.26
22	B₂	3060	2953	0.00
23	B₂	1449	1398	5.40
24	B₂	1328	1282	8.01
25	B₂	936	903	68.53
26	B₂	724	699	42.70
27	B₂	447	431	29.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.196
O2	-1.257	0.000	0.912
O3	1.257	0.000	0.912
C4	0.000	1.410	-0.920
C5	0.000	-1.410	-0.920
H6	0.000	2.294	-0.280
H7	0.000	-2.294	-0.280
H8	0.902	1.391	-1.534
H9	-0.902	1.391	-1.534
H10	-0.902	-1.391	-1.534
H11	0.902	-1.391	-1.534

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4470	1.4470	1.7981	1.7981	2.3428	2.3428	2.3960	2.3960	2.3960	2.3960
O2	1.4470		2.5142	2.6318	2.6318	2.8747	2.8747	3.5470	2.8365	2.8365	3.5470
O3	1.4470	2.5142		2.6318	2.6318	2.8747	2.8747	2.8365	3.5470	3.5470	2.8365
C4	1.7981	2.6318	2.6318		2.8196	1.0917	3.7588	1.0910	1.0910	3.0060	3.0060
C5	1.7981	2.6318	2.6318	2.8196		3.7588	1.0917	3.0060	3.0060	1.0910	1.0910
H6	2.3428	2.8747	2.8747	1.0917	3.7588		4.5880	1.7891	1.7891	3.9959	3.9959
H7	2.3428	2.8747	2.8747	3.7588	1.0917	4.5880		3.9959	3.9959	1.7891	1.7891
H8	2.3960	3.5470	2.8365	1.0910	3.0060	1.7891	3.9959		1.8037	3.3161	2.7826
H9	2.3960	2.8365	3.5470	1.0910	3.0060	1.7891	3.9959	1.8037		2.7826	3.3161
H10	2.3960	2.8365	3.5470	3.0060	1.0910	3.9959	1.7891	3.3161	2.7826		1.8037
H11	2.3960	3.5470	2.8365	3.0060	1.0910	3.9959	1.7891	2.7826	3.3161	1.8037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.720	S1	C4	H8	109.622
S1	C4	H9	109.622	S1	C5	H7	105.720
S1	C5	H10	109.622	S1	C5	H11	109.622
O2	S1	O3	120.636	O2	S1	C4	107.900
O2	S1	C5	107.900	O3	S1	C4	107.900
O3	S1	C5	107.900	C4	S1	C5	103.267
H6	C4	H8	110.099	H6	C4	H9	110.099
H7	C5	H10	110.099	H7	C5	H11	110.099
H8	C4	H9	111.513	H10	C5	H11	111.513

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

using model chemistry: G4

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	0.491
2	O	-0.293
3	O	-0.293
4	C	-0.449
5	C	-0.449
6	H	0.180
7	H	0.180
8	H	0.158
9	H	0.158
10	H	0.158
11	H	0.158

<r²>	127.383
(<r²>)^1/2	11.286

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

using model chemistry: G4

States and conformations

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