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	hartrees
Energy at 0K	-620.836320
Energy at 298.15K
HF Energy	-620.836320
Nuclear repulsion energy	247.390974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3522	3522	0.01
2	A₁	3305	3305	10.32
3	A₁	1645	1645	0.64
4	A₁	1377	1377	0.78
5	A₁	957	957	50.26
6	A₁	847	847	16.63
7	A₁	559	559	32.00
8	A₁	289	289	7.55
9	A₁	215	215	0.99
10	A₂	3518	3518	0.00
11	A₂	1647	1647	0.00
12	A₂	854	854	0.00
13	A₂	199	199	0.00
14	A₂	48	48	0.00
15	B₁	3519	3519	0.08
16	B₁	1653	1653	5.13
17	B₁	1059	1059	43.74
18	B₁	860	860	0.67
19	B₁	275	275	2.37
20	B₁	102	102	0.04
21	B₂	3520	3520	0.01
22	B₂	3302	3302	25.33
23	B₂	1641	1641	2.11
24	B₂	1356	1356	11.69
25	B₂	853	853	16.56
26	B₂	530	530	103.75
27	B₂	273	273	4.55

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.261
O2	-1.418	0.000	1.056
O3	1.418	0.000	1.056
C4	0.000	1.483	-1.096
C5	0.000	-1.483	-1.096
H6	0.000	2.435	-0.547
H7	0.000	-2.435	-0.547
H8	0.909	1.377	-1.706
H9	-0.909	1.377	-1.706
H10	-0.909	-1.377	-1.706
H11	0.909	-1.377	-1.706

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6256	1.6256	2.0103	2.0103	2.5654	2.5654	2.5673	2.5673	2.5673	2.5673
O2	1.6256		2.8364	2.9733	2.9733	3.2416	3.2416	3.8648	3.1275	3.1275	3.8648
O3	1.6256	2.8364		2.9733	2.9733	3.2416	3.2416	3.1275	3.8648	3.8648	3.1275
C4	2.0103	2.9733	2.9733		2.9656	1.0990	3.9558	1.0994	1.0994	3.0620	3.0620
C5	2.0103	2.9733	2.9733	2.9656		3.9558	1.0990	3.0620	3.0620	1.0994	1.0994
H6	2.5654	3.2416	3.2416	1.0990	3.9558		4.8695	1.8132	1.8132	4.0863	4.0863
H7	2.5654	3.2416	3.2416	3.9558	1.0990	4.8695		4.0863	4.0863	1.8132	1.8132
H8	2.5673	3.8648	3.1275	1.0994	3.0620	1.8132	4.0863		1.8175	3.2996	2.7539
H9	2.5673	3.1275	3.8648	1.0994	3.0620	1.8132	4.0863	1.8175		2.7539	3.2996
H10	2.5673	3.1275	3.8648	3.0620	1.0994	4.0863	1.8132	3.2996	2.7539		1.8175
H11	2.5673	3.8648	3.1275	3.0620	1.0994	4.0863	1.8132	2.7539	3.2996	1.8175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	107.548	S1	C4	H8	107.663
S1	C4	H9	107.663	S1	C5	H7	107.548
S1	C5	H10	107.663	S1	C5	H11	107.663
O2	S1	O3	121.487	O2	S1	C4	109.268
O2	S1	C5	109.268	O3	S1	C4	109.268
O3	S1	C5	109.268	C4	S1	C5	95.057
H6	C4	H8	111.129	H6	C4	H9	111.129
H7	C5	H10	111.129	H7	C5	H11	111.129
H8	C4	H9	111.500	H10	C5	H11	111.500

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

using model chemistry: TPSSh/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	0.743
2	O	-0.325
3	O	-0.325
4	C	-0.277
5	C	-0.277
6	H	0.079
7	H	0.079
8	H	0.076
9	H	0.076
10	H	0.076
11	H	0.076

<r²>	148.986
(<r²>)^1/2	12.206

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

using model chemistry: TPSSh/STO-3G

States and conformations

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