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	hartrees
Energy at 0K	-626.358992
Energy at 298.15K
HF Energy	-626.358992
Nuclear repulsion energy	274.541821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3098	3064	0.36
2	A₁	2989	2956	0.33
3	A₁	1374	1359	3.86
4	A₁	1263	1249	45.18
5	A₁	1151	1139	123.82
6	A₁	961	950	5.12
7	A₁	678	671	11.51
8	A₁	467	462	21.40
9	A₁	257	255	2.90
10	A₂	3104	3070	0.00
11	A₂	1361	1346	0.00
12	A₂	874	865	0.00
13	A₂	278	275	0.00
14	A₂	171	170	0.00
15	B₁	3107	3073	0.17
16	B₁	1384	1369	0.30
17	B₁	1343	1328	217.49
18	B₁	936	925	2.52
19	B₁	338	334	0.12
20	B₁	207	205	0.56
21	B₂	3097	3064	4.07
22	B₂	2987	2954	2.78
23	B₂	1361	1346	7.89
24	B₂	1244	1231	35.23
25	B₂	899	889	87.52
26	B₂	727	719	32.49
27	B₂	434	429	30.18

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.186
O2	-1.262	0.000	0.908
O3	1.262	0.000	0.908
C4	0.000	1.390	-0.909
C5	0.000	-1.390	-0.909
H6	0.000	2.272	-0.254
H7	0.000	-2.272	-0.254
H8	0.910	1.373	-1.522
H9	-0.910	1.373	-1.522
H10	-0.910	-1.373	-1.522
H11	0.910	-1.373	-1.522

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4537	1.4537	1.7702	1.7702	2.3139	2.3139	2.3727	2.3727	2.3727	2.3727
O2	1.4537		2.5234	2.6132	2.6132	2.8467	2.8467	3.5362	2.8133	2.8133	3.5362
O3	1.4537	2.5234		2.6132	2.6132	2.8467	2.8467	2.8133	3.5362	3.5362	2.8133
C4	1.7702	2.6132	2.6132		2.7810	1.0978	3.7201	1.0966	1.0966	2.9733	2.9733
C5	1.7702	2.6132	2.6132	2.7810		3.7201	1.0978	2.9733	2.9733	1.0966	1.0966
H6	2.3139	2.8467	2.8467	1.0978	3.7201		4.5431	1.8001	1.8001	3.9645	3.9645
H7	2.3139	2.8467	2.8467	3.7201	1.0978	4.5431		3.9645	3.9645	1.8001	1.8001
H8	2.3727	3.5362	2.8133	1.0966	2.9733	1.8001	3.9645		1.8190	3.2942	2.7464
H9	2.3727	2.8133	3.5362	1.0966	2.9733	1.8001	3.9645	1.8190		2.7464	3.2942
H10	2.3727	2.8133	3.5362	2.9733	1.0966	3.9645	1.8001	3.2942	2.7464		1.8190
H11	2.3727	3.5362	2.8133	2.9733	1.0966	3.9645	1.8001	2.7464	3.2942	1.8190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.143	S1	C4	H8	109.465
S1	C4	H9	109.465	S1	C5	H7	105.143
S1	C5	H10	109.465	S1	C5	H11	109.465
O2	S1	O3	120.429	O2	S1	C4	107.904
O2	S1	C5	107.904	O3	S1	C4	107.904
O3	S1	C5	107.904	C4	S1	C5	103.535
H6	C4	H8	110.231	H6	C4	H9	110.231
H7	C5	H10	110.231	H7	C5	H11	110.231
H8	C4	H9	112.070	H10	C5	H11	112.070

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

using model chemistry: LSDA/cc-pVTZ

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	0.679
2	O	-0.400
3	O	-0.400
4	C	-0.362
5	C	-0.362
6	H	0.153
7	H	0.153
8	H	0.134
9	H	0.134
10	H	0.134
11	H	0.134

<r²>	126.420
(<r²>)^1/2	11.244

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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