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	hartrees
Energy at 0K	-625.057729
Energy at 298.15K
HF Energy	-625.057729
Nuclear repulsion energy	256.035809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3212	3099	0.00
2	A₁	3100	2991	0.93
3	A₁	1506	1453	4.91
4	A₁	1381	1333	8.05
5	A₁	1054	1017	54.83
6	A₁	894	863	30.45
7	A₁	552	532	17.87
8	A₁	394	380	14.89
9	A₁	238	229	1.84
10	A₂	3211	3099	0.00
11	A₂	1507	1454	0.00
12	A₂	941	908	0.00
13	A₂	198	191	0.00
14	A₂	134	129	0.00
15	B₁	3215	3102	0.46
16	B₁	1521	1468	30.48
17	B₁	1137	1097	68.05
18	B₁	959	926	0.07
19	B₁	275	265	1.47
20	B₁	163	157	0.40
21	B₂	3211	3098	0.42
22	B₂	3097	2988	0.11
23	B₂	1495	1442	15.17
24	B₂	1358	1310	3.21
25	B₂	954	920	21.25
26	B₂	619	598	62.75
27	B₂	311	300	26.14

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.205
O2	-1.377	0.000	1.007
O3	1.377	0.000	1.007
C4	0.000	1.455	-1.011
C5	0.000	-1.455	-1.011
H6	0.000	2.357	-0.401
H7	0.000	-2.357	-0.401
H8	0.907	1.384	-1.611
H9	-0.907	1.384	-1.611
H10	-0.907	-1.384	-1.611
H11	0.907	-1.384	-1.611

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.5936	1.5936	1.8957	1.8957	2.4340	2.4340	2.4558	2.4558	2.4558	2.4558
O2	1.5936		2.7539	2.8432	2.8432	3.0718	3.0718	3.7390	2.9975	2.9975	3.7390
O3	1.5936	2.7539		2.8432	2.8432	3.0718	3.0718	2.9975	3.7390	3.7390	2.9975
C4	1.8957	2.8432	2.8432		2.9091	1.0895	3.8604	1.0894	1.0894	3.0391	3.0391
C5	1.8957	2.8432	2.8432	2.9091		3.8604	1.0895	3.0391	3.0391	1.0894	1.0894
H6	2.4340	3.0718	3.0718	1.0895	3.8604		4.7148	1.7980	1.7980	4.0347	4.0347
H7	2.4340	3.0718	3.0718	3.8604	1.0895	4.7148		4.0347	4.0347	1.7980	1.7980
H8	2.4558	3.7390	2.9975	1.0894	3.0391	1.7980	4.0347		1.8138	3.3086	2.7670
H9	2.4558	2.9975	3.7390	1.0894	3.0391	1.7980	4.0347	1.8138		2.7670	3.3086
H10	2.4558	2.9975	3.7390	3.0391	1.0894	4.0347	1.7980	3.3086	2.7670		1.8138
H11	2.4558	3.7390	2.9975	3.0391	1.0894	4.0347	1.7980	2.7670	3.3086	1.8138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.073	S1	C4	H8	107.624
S1	C4	H9	107.624	S1	C5	H7	106.073
S1	C5	H10	107.624	S1	C5	H11	107.624
O2	S1	O3	119.550	O2	S1	C4	108.834
O2	S1	C5	108.834	O3	S1	C4	108.834
O3	S1	C5	108.834	C4	S1	C5	100.220
H6	C4	H8	111.221	H6	C4	H9	111.221
H7	C5	H10	111.221	H7	C5	H11	111.221
H8	C4	H9	112.718	H10	C5	H11	112.718

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

using model chemistry: B3LYP/3-21G

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	1.339
2	O	-0.564
3	O	-0.564
4	C	-0.873
5	C	-0.873
6	H	0.274
7	H	0.274
8	H	0.247
9	H	0.247
10	H	0.247
11	H	0.247

	x	y	z	Total
	0.000	0.000	-5.068	5.068
CHELPG
AIM
ESP	0.009	0.000	-5.110	5.110

<r²>	141.889
(<r²>)^1/2	11.912

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

using model chemistry: B3LYP/3-21G

States and conformations

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