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	hartrees
Energy at 0K	-627.703572
Energy at 298.15K
HF Energy	-626.549455
Nuclear repulsion energy	274.972867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3203	3048	0.00
2	A₁	3107	2956	1.21
3	A₁	1489	1416	3.52
4	A₁	1362	1296	22.22
5	A₁	1170	1114	150.27
6	A₁	1019	969	1.04
7	A₁	711	676	8.92
8	A₁	480	457	24.02
9	A₁	272	258	2.31
10	A₂	3211	3055	0.00
11	A₂	1474	1402	0.00
12	A₂	939	894	0.00
13	A₂	296	282	0.00
14	A₂	172	163	0.00
15	B₁	3215	3058	0.03
16	B₁	1494	1421	6.54
17	B₁	1353	1288	254.19
18	B₁	998	950	0.95
19	B₁	356	339	0.51
20	B₁	221	210	0.35
21	B₂	3202	3047	1.75
22	B₂	3105	2954	0.79
23	B₂	1477	1405	5.68
24	B₂	1346	1281	19.25
25	B₂	952	906	64.66
26	B₂	769	731	31.19
27	B₂	453	431	34.75

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.186
O2	-1.261	0.000	0.909
O3	1.261	0.000	0.909
C4	0.000	1.389	-0.911
C5	0.000	-1.389	-0.911
H6	0.000	2.263	-0.267
H7	0.000	-2.263	-0.267
H8	0.900	1.362	-1.515
H9	-0.900	1.362	-1.515
H10	-0.900	-1.362	-1.515
H11	0.900	-1.362	-1.515

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4536	1.4536	1.7700	1.7700	2.3076	2.3076	2.3577	2.3577	2.3577	2.3577
O2	1.4536		2.5230	2.6136	2.6136	2.8447	2.8447	3.5212	2.8036	2.8036	3.5212
O3	1.4536	2.5230		2.6136	2.6136	2.8447	2.8447	2.8036	3.5212	3.5212	2.8036
C4	1.7700	2.6136	2.6136		2.7779	1.0855	3.7080	1.0840	1.0840	2.9566	2.9566
C5	1.7700	2.6136	2.6136	2.7779		3.7080	1.0855	2.9566	2.9566	1.0840	1.0840
H6	2.3076	2.8447	2.8447	1.0855	3.7080		4.5253	1.7830	1.7830	3.9376	3.9376
H7	2.3076	2.8447	2.8447	3.7080	1.0855	4.5253		3.9376	3.9376	1.7830	1.7830
H8	2.3577	3.5212	2.8036	1.0840	2.9566	1.7830	3.9376		1.7991	3.2643	2.7238
H9	2.3577	2.8036	3.5212	1.0840	2.9566	1.7830	3.9376	1.7991		2.7238	3.2643
H10	2.3577	2.8036	3.5212	2.9566	1.0840	3.9376	1.7830	3.2643	2.7238		1.7991
H11	2.3577	3.5212	2.8036	2.9566	1.0840	3.9376	1.7830	2.7238	3.2643	1.7991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.293	S1	C4	H8	109.021
S1	C4	H9	109.021	S1	C5	H7	105.293
S1	C5	H10	109.021	S1	C5	H11	109.021
O2	S1	O3	120.412	O2	S1	C4	107.939
O2	S1	C5	107.939	O3	S1	C4	107.939
O3	S1	C5	107.939	C4	S1	C5	103.388
H6	C4	H8	110.542	H6	C4	H9	110.542
H7	C5	H10	110.542	H7	C5	H11	110.542
H8	C4	H9	112.168	H10	C5	H11	112.168

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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: MP2=FULL/aug-cc-pVTZ

States and conformations

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