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	hartrees
Energy at 0K	-628.324377
Energy at 298.15K
HF Energy	-627.915666
Nuclear repulsion energy	275.278174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	3181	0.72
2	A₁	3080	3080	1.85
3	A₁	1478	1478	3.14
4	A₁	1366	1366	17.97
5	A₁	1170	1170	155.60
6	A₁	1018	1018	0.71
7	A₁	689	689	9.85
8	A₁	490	490	23.30
9	A₁	273	273	2.49
10	A₂	3184	3184	0.00
11	A₂	1465	1465	0.00
12	A₂	944	944	0.00
13	A₂	300	300	0.00
14	A₂	189	189	0.00
15	B₁	3188	3188	1.60
16	B₁	1483	1483	6.00
17	B₁	1357	1357	248.50
18	B₁	1001	1001	0.84
19	B₁	362	362	0.35
20	B₁	221	221	0.39
21	B₂	3179	3179	0.81
22	B₂	3077	3077	0.05
23	B₂	1467	1467	6.08
24	B₂	1352	1352	14.61
25	B₂	951	951	65.47
26	B₂	753	753	38.63
27	B₂	460	460	33.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.251	0.000	0.907
O3	1.251	0.000	0.907
C4	0.000	1.398	-0.910
C5	0.000	-1.398	-0.910
H6	0.000	2.276	-0.269
H7	0.000	-2.276	-0.269
H8	0.898	1.380	-1.519
H9	-0.898	1.380	-1.519
H10	-0.898	-1.380	-1.519
H11	0.898	-1.380	-1.519

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4425	1.4425	1.7782	1.7782	2.3215	2.3215	2.3720	2.3720	2.3720	2.3720
O2	1.4425		2.5021	2.6116	2.6116	2.8509	2.8509	3.5224	2.8128	2.8128	3.5224
O3	1.4425	2.5021		2.6116	2.6116	2.8509	2.8509	2.8128	3.5224	3.5224	2.8128
C4	1.7782	2.6116	2.6116		2.7970	1.0864	3.7298	1.0855	1.0855	2.9829	2.9829
C5	1.7782	2.6116	2.6116	2.7970		3.7298	1.0864	2.9829	2.9829	1.0855	1.0855
H6	2.3215	2.8509	2.8509	1.0864	3.7298		4.5518	1.7809	1.7809	3.9666	3.9666
H7	2.3215	2.8509	2.8509	3.7298	1.0864	4.5518		3.9666	3.9666	1.7809	1.7809
H8	2.3720	3.5224	2.8128	1.0855	2.9829	1.7809	3.9666		1.7968	3.2932	2.7599
H9	2.3720	2.8128	3.5224	1.0855	2.9829	1.7809	3.9666	1.7968		2.7599	3.2932
H10	2.3720	2.8128	3.5224	2.9829	1.0855	3.9666	1.7809	3.2932	2.7599		1.7968
H11	2.3720	3.5224	2.8128	2.9829	1.0855	3.9666	1.7809	2.7599	3.2932	1.7968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.723	S1	C4	H8	109.458
S1	C4	H9	109.458	S1	C5	H7	105.723
S1	C5	H10	109.458	S1	C5	H11	109.458
O2	S1	O3	120.287	O2	S1	C4	107.908
O2	S1	C5	107.908	O3	S1	C4	107.908
O3	S1	C5	107.908	C4	S1	C5	103.711
H6	C4	H8	110.159	H6	C4	H9	110.159
H7	C5	H10	110.159	H7	C5	H11	110.159
H8	C4	H9	111.705	H10	C5	H11	111.705

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for C2H6O2S (Dimethyl sulfone)

using model chemistry: B2PLYP=FULL/6-311+G(3df,2p)

States and conformations

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