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	hartrees
Energy at 0K	-620.637766
Energy at 298.15K
HF Energy	-620.637766
Nuclear repulsion energy	243.088426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3413	3157	0.51
2	A₁	3195	2956	7.91
3	A₁	1593	1474	0.84
4	A₁	1296	1199	0.58
5	A₁	907	839	50.71
6	A₁	819	758	2.38
7	A₁	507	469	29.30
8	A₁	274	253	5.62
9	A₁	194	180	0.57
10	A₂	3409	3154	0.00
11	A₂	1595	1476	0.00
12	A₂	794	734	0.00
13	A₂	188	174	0.00
14	A₂	15	14	0.00
15	B₁	3411	3156	1.57
16	B₁	1600	1480	4.66
17	B₁	1023	946	37.32
18	B₁	807	747	2.21
19	B₁	256	237	1.94
20	B₁	76	71	0.02
21	B₂	3411	3156	0.42
22	B₂	3192	2954	21.02
23	B₂	1590	1471	1.86
24	B₂	1276	1180	12.25
25	B₂	794	734	17.53
26	B₂	488	451	94.53
27	B₂	252	233	2.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.270
O2	-1.429	0.000	1.073
O3	1.429	0.000	1.073
C4	0.000	1.539	-1.121
C5	0.000	-1.539	-1.121
H6	0.000	2.490	-0.559
H7	0.000	-2.490	-0.559
H8	0.916	1.428	-1.731
H9	-0.916	1.428	-1.731
H10	-0.916	-1.428	-1.731
H11	0.916	-1.428	-1.731

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6390	1.6390	2.0742	2.0742	2.6246	2.6246	2.6234	2.6234	2.6234	2.6234
O2	1.6390		2.8575	3.0368	3.0368	3.3024	3.3024	3.9241	3.1884	3.1884	3.9241
O3	1.6390	2.8575		3.0368	3.0368	3.3024	3.3024	3.1884	3.9241	3.9241	3.1884
C4	2.0742	3.0368	3.0368		3.0773	1.1055	4.0682	1.1058	1.1058	3.1643	3.1643
C5	2.0742	3.0368	3.0368	3.0773		4.0682	1.1055	3.1643	3.1643	1.1058	1.1058
H6	2.6246	3.3024	3.3024	1.1055	4.0682		4.9809	1.8279	1.8279	4.1915	4.1915
H7	2.6246	3.3024	3.3024	4.0682	1.1055	4.9809		4.1915	4.1915	1.8279	1.8279
H8	2.6234	3.9241	3.1884	1.1058	3.1643	1.8279	4.1915		1.8313	3.3931	2.8565
H9	2.6234	3.1884	3.9241	1.1058	3.1643	1.8279	4.1915	1.8313		2.8565	3.3931
H10	2.6234	3.1884	3.9241	3.1643	1.1058	4.1915	1.8279	3.3931	2.8565		1.8313
H11	2.6234	3.9241	3.1884	3.1643	1.1058	4.1915	1.8279	2.8565	3.3931	1.8313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	107.310	S1	C4	H8	107.208
S1	C4	H9	107.208	S1	C5	H7	107.310
S1	C5	H10	107.208	S1	C5	H11	107.208
O2	S1	O3	121.319	O2	S1	C4	109.183
O2	S1	C5	109.183	O3	S1	C4	109.183
O3	S1	C5	109.183	C4	S1	C5	95.774
H6	C4	H8	111.506	H6	C4	H9	111.506
H7	C5	H10	111.506	H7	C5	H11	111.506
H8	C4	H9	111.803	H10	C5	H11	111.803

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

using model chemistry: BLYP/STO-3G

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	0.707
2	O	-0.295
3	O	-0.295
4	C	-0.283
5	C	-0.283
6	H	0.076
7	H	0.076
8	H	0.074
9	H	0.074
10	H	0.074
11	H	0.074

<r²>	154.258
(<r²>)^1/2	12.420

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

using model chemistry: BLYP/STO-3G

States and conformations

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