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	hartrees
Energy at 0K	-618.507337
Energy at 298.15K
HF Energy	-618.507337
Nuclear repulsion energy	249.907956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3511	3144	1.32
2	A₁	3290	2946	17.27
3	A₁	1592	1426	2.86
4	A₁	1318	1180	4.38
5	A₁	977	875	64.36
6	A₁	873	781	0.66
7	A₁	571	511	30.02
8	A₁	300	269	8.37
9	A₁	214	192	1.01
10	A₂	3506	3140	0.00
11	A₂	1592	1425	0.00
12	A₂	835	747	0.00
13	A₂	199	178	0.00
14	A₂	31i	28i	0.00
15	B₁	3507	3141	1.76
16	B₁	1598	1431	13.52
17	B₁	1129	1011	48.33
18	B₁	860	770	5.10
19	B₁	275	246	1.98
20	B₁	89	80	0.02
21	B₂	3510	3143	1.33
22	B₂	3286	2943	38.11
23	B₂	1587	1421	5.93
24	B₂	1301	1165	0.09
25	B₂	833	746	26.14
26	B₂	558	499	95.03
27	B₂	283	253	4.78

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.266
O2	-1.404	0.000	1.043
O3	1.404	0.000	1.043
C4	0.000	1.463	-1.089
C5	0.000	-1.463	-1.089
H6	0.000	2.419	-0.552
H7	0.000	-2.419	-0.552
H8	0.908	1.340	-1.693
H9	-0.908	1.340	-1.693
H10	-0.908	-1.340	-1.693
H11	0.908	-1.340	-1.693

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6048	1.6048	1.9942	1.9942	2.5536	2.5536	2.5414	2.5414	2.5414	2.5414
O2	1.6048		2.8090	2.9424	2.9424	3.2198	3.2198	3.8246	3.0864	3.0864	3.8246
O3	1.6048	2.8090		2.9424	2.9424	3.2198	3.2198	3.0864	3.8246	3.8246	3.0864
C4	1.9942	2.9424	2.9424		2.9251	1.0969	3.9184	1.0973	1.0973	3.0071	3.0071
C5	1.9942	2.9424	2.9424	2.9251		3.9184	1.0969	3.0071	3.0071	1.0973	1.0973
H6	2.5536	3.2198	3.2198	1.0969	3.9184		4.8377	1.8139	1.8139	4.0317	4.0317
H7	2.5536	3.2198	3.2198	3.9184	1.0969	4.8377		4.0317	4.0317	1.8139	1.8139
H8	2.5414	3.8246	3.0864	1.0973	3.0071	1.8139	4.0317		1.8162	3.2373	2.6798
H9	2.5414	3.0864	3.8246	1.0973	3.0071	1.8139	4.0317	1.8162		2.6798	3.2373
H10	2.5414	3.0864	3.8246	3.0071	1.0973	4.0317	1.8139	3.2373	2.6798		1.8162
H11	2.5414	3.8246	3.0864	3.0071	1.0973	4.0317	1.8139	2.6798	3.2373	1.8162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	107.845	S1	C4	H8	106.977
S1	C4	H9	106.977	S1	C5	H7	107.845
S1	C5	H10	106.977	S1	C5	H11	106.977
O2	S1	O3	122.133	O2	S1	C4	109.202
O2	S1	C5	109.202	O3	S1	C4	109.202
O3	S1	C5	109.202	C4	S1	C5	94.341
H6	C4	H8	111.520	H6	C4	H9	111.520
H7	C5	H10	111.520	H7	C5	H11	111.520
H8	C4	H9	111.709	H10	C5	H11	111.709

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

using model chemistry: LSDA/STO-3G

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	0.748
2	O	-0.320
3	O	-0.320
4	C	-0.355
5	C	-0.355
6	H	0.102
7	H	0.102
8	H	0.099
9	H	0.099
10	H	0.099
11	H	0.099

<r²>	146.120
(<r²>)^1/2	12.088

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

using model chemistry: LSDA/STO-3G

States and conformations

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