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	hartrees
Energy at 0K	-238.565602
Energy at 298.15K
HF Energy	-238.565602
Nuclear repulsion energy	156.037062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3406	3065	0.28
2	A₁	3269	2942	12.31
3	A₁	1600	1440	9.54
4	A₁	1545	1390	0.03
5	A₁	1202	1082	37.78
6	A₁	752	676	2.44
7	A₁	588	529	2.98
8	A₁	313	282	36.64
9	A₁	242	217	8.30
10	A₂	3407	3066	0.00
11	A₂	1610	1449	0.00
12	A₂	1125	1012	0.00
13	A₂	246	222	0.00
14	A₂	171	154	0.00
15	B₁	3410	3068	3.72
16	B₁	1620	1457	37.39
17	B₁	1190	1071	17.10
18	B₁	814	732	1.39
19	B₁	280	252	1.09
20	B₁	189	170	0.53
21	B₂	3405	3064	0.08
22	B₂	3268	2940	2.53
23	B₂	1590	1431	15.32
24	B₂	1522	1370	0.02
25	B₂	1101	991	9.23
26	B₂	785	707	2.92
27	B₂	321	289	64.19

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.192
O2	-1.454	0.000	1.005
O3	1.454	0.000	1.005
C4	0.000	1.471	-0.898
C5	0.000	-1.471	-0.898
H6	0.000	2.320	-0.237
H7	0.000	-2.320	-0.237
H8	0.894	1.452	-1.496
H9	-0.894	1.452	-1.496
H10	-0.894	-1.452	-1.496
H11	0.894	-1.452	-1.496

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6657	1.6657	1.8300	1.8300	2.3591	2.3591	2.3994	2.3994	2.3994	2.3994
O2	1.6657		2.9071	2.8100	2.8100	3.0061	3.0061	3.7253	2.9458	2.9458	3.7253
O3	1.6657	2.9071		2.8100	2.8100	3.0061	3.0061	2.9458	3.7253	3.7253	2.9458
C4	1.8300	2.8100	2.8100		2.9410	1.0763	3.8476	1.0764	1.0764	3.1144	3.1144
C5	1.8300	2.8100	2.8100	2.9410		3.8476	1.0763	3.1144	3.1144	1.0764	1.0764
H6	2.3591	3.0061	3.0061	1.0763	3.8476		4.6397	1.7719	1.7719	4.0761	4.0761
H7	2.3591	3.0061	3.0061	3.8476	1.0763	4.6397		4.0761	4.0761	1.7719	1.7719
H8	2.3994	3.7253	2.9458	1.0764	3.1144	1.7719	4.0761		1.7889	3.4109	2.9042
H9	2.3994	2.9458	3.7253	1.0764	3.1144	1.7719	4.0761	1.7889		2.9042	3.4109
H10	2.3994	2.9458	3.7253	3.1144	1.0764	4.0761	1.7719	3.4109	2.9042		1.7889
H11	2.3994	3.7253	2.9458	3.1144	1.0764	4.0761	1.7719	2.9042	3.4109	1.7889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.577	S1	C4	H8	108.494
S1	C4	H9	108.494	S1	C5	H7	105.577
S1	C5	H10	108.494	S1	C5	H11	108.494
O2	S1	O3	121.527	O2	S1	C4	106.901
O2	S1	C5	106.901	O3	S1	C4	106.901
O3	S1	C5	106.901	C4	S1	C5	106.943
H6	C4	H8	110.794	H6	C4	H9	110.794
H7	C5	H10	110.794	H7	C5	H11	110.794
H8	C4	H9	112.403	H10	C5	H11	112.403

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

using model chemistry: HF/LANL2DZ

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	1.190
2	O	-0.715
3	O	-0.715
4	C	-0.641
5	C	-0.641
6	H	0.284
7	H	0.284
8	H	0.239
9	H	0.239
10	H	0.239
11	H	0.239

<r²>	142.154
(<r²>)^1/2	11.923

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

using model chemistry: HF/LANL2DZ

States and conformations

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