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	hartrees
Energy at 0K	-628.171009
Energy at 298.15K
HF Energy	-627.854114
Nuclear repulsion energy	270.375617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3197	3050	0.54
2	A₁	3089	2948	2.22
3	A₁	1475	1408	4.38
4	A₁	1373	1310	10.41
5	A₁	1113	1062	165.51
6	A₁	1014	968	3.11
7	A₁	659	629	11.02
8	A₁	456	435	27.47
9	A₁	261	249	2.41
10	A₂	3198	3052	0.00
11	A₂	1464	1397	0.00
12	A₂	950	907	0.00
13	A₂	290	276	0.00
14	A₂	174	166	0.00
15	B₁	3202	3055	1.96
16	B₁	1480	1412	9.76
17	B₁	1286	1227	239.52
18	B₁	1000	954	0.00
19	B₁	351	335	1.23
20	B₁	212	202	0.46
21	B₂	3195	3049	0.38
22	B₂	3086	2945	0.00
23	B₂	1465	1398	6.53
24	B₂	1354	1292	9.89
25	B₂	957	913	51.97
26	B₂	733	699	51.68
27	B₂	439	419	39.15

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.190
O2	-1.284	0.000	0.922
O3	1.284	0.000	0.922
C4	0.000	1.422	-0.925
C5	0.000	-1.422	-0.925
H6	0.000	2.297	-0.281
H7	0.000	-2.297	-0.281
H8	0.900	1.399	-1.533
H9	-0.900	1.399	-1.533
H10	-0.900	-1.399	-1.533
H11	0.900	-1.399	-1.533

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4780	1.4780	1.8071	1.8071	2.3448	2.3448	2.3950	2.3950	2.3950	2.3950
O2	1.4780		2.5683	2.6612	2.6612	2.8934	2.8934	3.5713	2.8512	2.8512	3.5713
O3	1.4780	2.5683		2.6612	2.6612	2.8934	2.8934	2.8512	3.5713	3.5713	2.8512
C4	1.8071	2.6612	2.6612		2.8434	1.0870	3.7741	1.0864	1.0864	3.0225	3.0225
C5	1.8071	2.6612	2.6612	2.8434		3.7741	1.0870	3.0225	3.0225	1.0864	1.0864
H6	2.3448	2.8934	2.8934	1.0870	3.7741		4.5940	1.7847	1.7847	4.0047	4.0047
H7	2.3448	2.8934	2.8934	3.7741	1.0870	4.5940		4.0047	4.0047	1.7847	1.7847
H8	2.3950	3.5713	2.8512	1.0864	3.0225	1.7847	4.0047		1.8008	3.3272	2.7977
H9	2.3950	2.8512	3.5713	1.0864	3.0225	1.7847	4.0047	1.8008		2.7977	3.3272
H10	2.3950	2.8512	3.5713	3.0225	1.0864	4.0047	1.7847	3.3272	2.7977		1.8008
H11	2.3950	3.5713	2.8512	3.0225	1.0864	4.0047	1.7847	2.7977	3.3272	1.8008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.517	S1	C4	H8	109.187
S1	C4	H9	109.187	S1	C5	H7	105.517
S1	C5	H10	109.187	S1	C5	H11	109.187
O2	S1	O3	120.655	O2	S1	C4	107.793
O2	S1	C5	107.793	O3	S1	C4	107.793
O3	S1	C5	107.793	C4	S1	C5	103.764
H6	C4	H8	110.393	H6	C4	H9	110.393
H7	C5	H10	110.393	H7	C5	H11	110.393
H8	C4	H9	111.948	H10	C5	H11	111.948

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

using model chemistry: B2PLYP=FULL/TZVP

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/TZVP

States and conformations

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