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	hartrees
Energy at 0K	-628.118103
Energy at 298.15K
HF Energy	-628.118103
Nuclear repulsion energy	273.259134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3187	3060	0.25
2	A₁	3079	2958	1.37
3	A₁	1454	1396	5.75
4	A₁	1356	1302	24.36
5	A₁	1151	1105	185.19
6	A₁	1013	973	1.08
7	A₁	684	657	10.99
8	A₁	480	461	27.70
9	A₁	271	260	2.62
10	A₂	3192	3065	0.00
11	A₂	1439	1382	0.00
12	A₂	932	895	0.00
13	A₂	292	280	0.00
14	A₂	182	175	0.00
15	B₁	3195	3069	1.40
16	B₁	1456	1398	14.25
17	B₁	1343	1290	244.26
18	B₁	995	956	1.67
19	B₁	356	342	0.55
20	B₁	216	207	0.67
21	B₂	3185	3059	0.93
22	B₂	3077	2955	0.22
23	B₂	1443	1386	7.68
24	B₂	1336	1283	22.04
25	B₂	951	914	74.52
26	B₂	747	717	44.96
27	B₂	453	435	38.97

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.190
O2	-1.266	0.000	0.910
O3	1.266	0.000	0.910
C4	0.000	1.407	-0.915
C5	0.000	-1.407	-0.915
H6	0.000	2.285	-0.267
H7	0.000	-2.285	-0.267
H8	0.903	1.393	-1.524
H9	-0.903	1.393	-1.524
H10	-0.903	-1.393	-1.524
H11	0.903	-1.393	-1.524

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4563	1.4563	1.7889	1.7889	2.3301	2.3301	2.3864	2.3864	2.3864	2.3864
O2	1.4563		2.5311	2.6292	2.6292	2.8652	2.8652	3.5456	2.8284	2.8284	3.5456
O3	1.4563	2.5311		2.6292	2.6292	2.8652	2.8652	2.8284	3.5456	3.5456	2.8284
C4	1.7889	2.6292	2.6292		2.8143	1.0905	3.7482	1.0896	1.0896	3.0048	3.0048
C5	1.7889	2.6292	2.6292	2.8143		3.7482	1.0905	3.0048	3.0048	1.0896	1.0896
H6	2.3301	2.8652	2.8652	1.0905	3.7482		4.5695	1.7860	1.7860	3.9902	3.9902
H7	2.3301	2.8652	2.8652	3.7482	1.0905	4.5695		3.9902	3.9902	1.7860	1.7860
H8	2.3864	3.5456	2.8284	1.0896	3.0048	1.7860	3.9902		1.8062	3.3205	2.7864
H9	2.3864	2.8284	3.5456	1.0896	3.0048	1.7860	3.9902	1.8062		2.7864	3.3205
H10	2.3864	2.8284	3.5456	3.0048	1.0896	3.9902	1.7860	3.3205	2.7864		1.8062
H11	2.3864	3.5456	2.8284	3.0048	1.0896	3.9902	1.7860	2.7864	3.3205	1.8062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.459	S1	C4	H8	109.592
S1	C4	H9	109.592	S1	C5	H7	105.459
S1	C5	H10	109.592	S1	C5	H11	109.592
O2	S1	O3	120.693	O2	S1	C4	107.789
O2	S1	C5	107.789	O3	S1	C4	107.789
O3	S1	C5	107.789	C4	S1	C5	103.733
H6	C4	H8	110.017	H6	C4	H9	110.017
H7	C5	H10	110.017	H7	C5	H11	110.017
H8	C4	H9	111.959	H10	C5	H11	111.959

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

using model chemistry: HSEh1PBE/6-311G**

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	0.911
2	O	-0.498
3	O	-0.498
4	C	-0.509
5	C	-0.509
6	H	0.202
7	H	0.202
8	H	0.175
9	H	0.175
10	H	0.175
11	H	0.175

<r²>	127.930
(<r²>)^1/2	11.311

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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