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	hartrees
Energy at 0K	-628.571992
Energy at 298.15K
HF Energy	-628.571992
Nuclear repulsion energy	274.316144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3152	3152	2.27
2	A₁	3053	3053	2.70
3	A₁	1471	1471	2.57
4	A₁	1350	1350	15.68
5	A₁	1157	1157	153.73
6	A₁	1005	1005	0.68
7	A₁	667	667	9.88
8	A₁	478	478	21.06
9	A₁	259	259	2.36
10	A₂	3153	3153	0.00
11	A₂	1459	1459	0.00
12	A₂	926	926	0.00
13	A₂	285	285	0.00
14	A₂	182	182	0.00
15	B₁	3157	3157	4.38
16	B₁	1477	1477	5.56
17	B₁	1346	1346	242.17
18	B₁	985	985	0.67
19	B₁	344	344	0.26
20	B₁	209	209	0.39
21	B₂	3150	3150	0.28
22	B₂	3050	3050	0.04
23	B₂	1461	1461	5.80
24	B₂	1335	1335	10.20
25	B₂	934	934	64.75
26	B₂	730	730	39.27
27	B₂	443	443	29.78

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.254	0.000	0.909
O3	1.254	0.000	0.909
C4	0.000	1.407	-0.912
C5	0.000	-1.407	-0.912
H6	0.000	2.283	-0.265
H7	0.000	-2.283	-0.265
H8	0.901	1.390	-1.523
H9	-0.901	1.390	-1.523
H10	-0.901	-1.390	-1.523
H11	0.901	-1.390	-1.523

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4460	1.4460	1.7873	1.7873	2.3281	2.3281	2.3822	2.3822	2.3822	2.3822
O2	1.4460		2.5083	2.6213	2.6213	2.8574	2.8574	3.5341	2.8230	2.8230	3.5341
O3	1.4460	2.5083		2.6213	2.6213	2.8574	2.8574	2.8230	3.5341	3.5341	2.8230
C4	1.7873	2.6213	2.6213		2.8146	1.0891	3.7469	1.0885	1.0885	3.0015	3.0015
C5	1.7873	2.6213	2.6213	2.8146		3.7469	1.0891	3.0015	3.0015	1.0885	1.0885
H6	2.3281	2.8574	2.8574	1.0891	3.7469		4.5665	1.7864	1.7864	3.9857	3.9857
H7	2.3281	2.8574	2.8574	3.7469	1.0891	4.5665		3.9857	3.9857	1.7864	1.7864
H8	2.3822	3.5341	2.8230	1.0885	3.0015	1.7864	3.9857		1.8023	3.3130	2.7799
H9	2.3822	2.8230	3.5341	1.0885	3.0015	1.7864	3.9857	1.8023		2.7799	3.3130
H10	2.3822	2.8230	3.5341	3.0015	1.0885	3.9857	1.7864	3.3130	2.7799		1.8023
H11	2.3822	3.5341	2.8230	3.0015	1.0885	3.9857	1.7864	2.7799	3.3130	1.8023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.481	S1	C4	H8	109.452
S1	C4	H9	109.452	S1	C5	H7	105.481
S1	C5	H10	109.452	S1	C5	H11	109.452
O2	S1	O3	120.306	O2	S1	C4	107.866
O2	S1	C5	107.866	O3	S1	C4	107.866
O3	S1	C5	107.866	C4	S1	C5	103.885
H6	C4	H8	110.242	H6	C4	H9	110.242
H7	C5	H10	110.242	H7	C5	H11	110.242
H8	C4	H9	111.774	H10	C5	H11	111.774

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

using model chemistry: TPSSh/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	0.576
2	O	-0.470
3	O	-0.470
4	C	-0.211
5	C	-0.211
6	H	0.124
7	H	0.124
8	H	0.135
9	H	0.135
10	H	0.135
11	H	0.135

<r²>	127.063
(<r²>)^1/2	11.272

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

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

States and conformations

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