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	hartrees
Energy at 0K	-622.869643
Energy at 298.15K
HF Energy	-622.869643
Nuclear repulsion energy	258.428456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3152	3095	1.13
2	A₁	3028	2973	0.05
3	A₁	1440	1414	6.09
4	A₁	1320	1296	25.09
5	A₁	1037	1018	83.64
6	A₁	933	916	9.86
7	A₁	573	563	23.24
8	A₁	405	398	13.07
9	A₁	238	233	1.69
10	A₂	3150	3093	0.00
11	A₂	1436	1410	0.00
12	A₂	898	882	0.00
13	A₂	190	187	0.00
14	A₂	135	132	0.00
15	B₁	3153	3096	0.53
16	B₁	1454	1428	40.17
17	B₁	1180	1159	80.39
18	B₁	940	923	2.31
19	B₁	274	269	0.78
20	B₁	176	172	0.29
21	B₂	3151	3094	2.52
22	B₂	3025	2971	4.40
23	B₂	1425	1399	23.25
24	B₂	1297	1273	22.63
25	B₂	916	899	34.26
26	B₂	633	621	73.79
27	B₂	313	307	20.21

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.206
O2	-1.364	0.000	1.003
O3	1.364	0.000	1.003
C4	0.000	1.421	-1.006
C5	0.000	-1.421	-1.006
H6	0.000	2.343	-0.407
H7	0.000	-2.343	-0.407
H8	0.914	1.346	-1.613
H9	-0.914	1.346	-1.613
H10	-0.914	-1.346	-1.613
H11	0.914	-1.346	-1.613

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.5796	1.5796	1.8676	1.8676	2.4216	2.4216	2.4397	2.4397	2.4397	2.4397
O2	1.5796		2.7272	2.8134	2.8134	3.0555	3.0555	3.7201	2.9758	2.9758	3.7201
O3	1.5796	2.7272		2.8134	2.8134	3.0555	3.0555	2.9758	3.7201	3.7201	2.9758
C4	1.8676	2.8134	2.8134		2.8422	1.0994	3.8114	1.0994	1.0994	2.9762	2.9762
C5	1.8676	2.8134	2.8134	2.8422		3.8114	1.0994	2.9762	2.9762	1.0994	1.0994
H6	2.4216	3.0555	3.0555	1.0994	3.8114		4.6858	1.8121	1.8121	3.9868	3.9868
H7	2.4216	3.0555	3.0555	3.8114	1.0994	4.6858		3.9868	3.9868	1.8121	1.8121
H8	2.4397	3.7201	2.9758	1.0994	2.9762	1.8121	3.9868		1.8274	3.2530	2.6912
H9	2.4397	2.9758	3.7201	1.0994	2.9762	1.8121	3.9868	1.8274		2.6912	3.2530
H10	2.4397	2.9758	3.7201	2.9762	1.0994	3.9868	1.8121	3.2530	2.6912		1.8274
H11	2.4397	3.7201	2.9758	2.9762	1.0994	3.9868	1.8121	2.6912	3.2530	1.8274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.523	S1	C4	H8	107.807
S1	C4	H9	107.807	S1	C5	H7	106.523
S1	C5	H10	107.807	S1	C5	H11	107.807
O2	S1	O3	119.368	O2	S1	C4	109.117
O2	S1	C5	109.117	O3	S1	C4	109.117
O3	S1	C5	109.117	C4	S1	C5	99.096
H6	C4	H8	110.999	H6	C4	H9	110.999
H7	C5	H10	110.999	H7	C5	H11	110.999
H8	C4	H9	112.422	H10	C5	H11	112.422

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

using model chemistry: SVWN/3-21G

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	1.229
2	O	-0.507
3	O	-0.507
4	C	-0.946
5	C	-0.946
6	H	0.298
7	H	0.298
8	H	0.270
9	H	0.270
10	H	0.270
11	H	0.270

<r²>	139.307
(<r²>)^1/2	11.803

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

using model chemistry: SVWN/3-21G

States and conformations

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