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	hartrees
Energy at 0K	-628.441441
Energy at 298.15K
HF Energy	-628.441441
Nuclear repulsion energy	273.314700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3109	3068	3.06
2	A₁	3007	2967	3.46
3	A₁	1434	1415	2.25
4	A₁	1314	1297	14.86
5	A₁	1132	1117	148.84
6	A₁	985	973	0.49
7	A₁	642	634	12.32
8	A₁	472	466	18.37
9	A₁	265	262	2.46
10	A₂	3109	3068	0.00
11	A₂	1421	1403	0.00
12	A₂	910	898	0.00
13	A₂	287	283	0.00
14	A₂	176	173	0.00
15	B₁	3113	3073	5.55
16	B₁	1439	1421	4.87
17	B₁	1317	1300	233.88
18	B₁	965	952	0.59
19	B₁	349	344	0.16
20	B₁	210	208	0.38
21	B₂	3107	3067	0.10
22	B₂	3004	2965	0.38
23	B₂	1423	1404	6.09
24	B₂	1298	1281	10.20
25	B₂	917	905	58.57
26	B₂	706	696	47.55
27	B₂	440	434	25.10

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.194
O2	-1.259	0.000	0.914
O3	1.259	0.000	0.914
C4	0.000	1.409	-0.920
C5	0.000	-1.409	-0.920
H6	0.000	2.292	-0.278
H7	0.000	-2.292	-0.278
H8	0.903	1.385	-1.532
H9	-0.903	1.385	-1.532
H10	-0.903	-1.385	-1.532
H11	0.903	-1.385	-1.532

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4503	1.4503	1.7963	1.7963	2.3399	2.3399	2.3897	2.3897	2.3897	2.3897
O2	1.4503		2.5180	2.6334	2.6334	2.8738	2.8738	3.5459	2.8328	2.8328	3.5459
O3	1.4503	2.5180		2.6334	2.6334	2.8738	2.8738	2.8328	3.5459	3.5459	2.8328
C4	1.7963	2.6334	2.6334		2.8179	1.0915	3.7559	1.0909	1.0909	2.9988	2.9988
C5	1.7963	2.6334	2.6334	2.8179		3.7559	1.0915	2.9988	2.9988	1.0909	1.0909
H6	2.3399	2.8738	2.8738	1.0915	3.7559		4.5835	1.7915	1.7915	3.9877	3.9877
H7	2.3399	2.8738	2.8738	3.7559	1.0915	4.5835		3.9877	3.9877	1.7915	1.7915
H8	2.3897	3.5459	2.8328	1.0909	2.9988	1.7915	3.9877		1.8064	3.3062	2.7691
H9	2.3897	2.8328	3.5459	1.0909	2.9988	1.7915	3.9877	1.8064		2.7691	3.3062
H10	2.3897	2.8328	3.5459	2.9988	1.0909	3.9877	1.7915	3.3062	2.7691		1.8064
H11	2.3897	3.5459	2.8328	2.9988	1.0909	3.9877	1.7915	2.7691	3.3062	1.8064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.639	S1	C4	H8	109.274
S1	C4	H9	109.274	S1	C5	H7	105.639
S1	C5	H10	109.274	S1	C5	H11	109.274
O2	S1	O3	120.472	O2	S1	C4	107.936
O2	S1	C5	107.936	O3	S1	C4	107.936
O3	S1	C5	107.936	C4	S1	C5	103.321
H6	C4	H8	110.343	H6	C4	H9	110.343
H7	C5	H10	110.343	H7	C5	H11	110.343
H8	C4	H9	111.771	H10	C5	H11	111.771

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.527
2	O	-0.443
3	O	-0.443
4	C	-0.289
5	C	-0.289
6	H	0.148
7	H	0.148
8	H	0.160
9	H	0.160
10	H	0.160
11	H	0.160

<r²>	127.884
(<r²>)^1/2	11.309

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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