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	hartrees
Energy at 0K	-620.736835
Energy at 298.15K
HF Energy	-620.736835
Nuclear repulsion energy	250.460622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3567	3135	0.79
2	A₁	3349	2943	11.83
3	A₁	1646	1447	1.55
4	A₁	1421	1249	0.07
5	A₁	1003	882	45.46
6	A₁	835	734	33.34
7	A₁	614	540	26.97
8	A₁	300	263	9.38
9	A₁	230	202	2.16
10	A₂	3563	3132	0.00
11	A₂	1649	1449	0.00
12	A₂	904	795	0.00
13	A₂	208	183	0.00
14	A₂	48	42	0.00
15	B₁	3565	3133	0.57
16	B₁	1655	1455	9.92
17	B₁	1065	936	49.45
18	B₁	886	779	0.04
19	B₁	287	252	2.53
20	B₁	110	97	0.06
21	B₂	3565	3134	0.80
22	B₂	3346	2941	26.95
23	B₂	1641	1443	4.38
24	B₂	1402	1232	3.01
25	B₂	905	796	16.86
26	B₂	600	527	91.23
27	B₂	288	253	9.75

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.247
O2	-1.415	0.000	1.041
O3	1.415	0.000	1.041
C4	0.000	1.448	-1.070
C5	0.000	-1.448	-1.070
H6	0.000	2.396	-0.521
H7	0.000	-2.396	-0.521
H8	0.904	1.353	-1.680
H9	-0.904	1.353	-1.680
H10	-0.904	-1.353	-1.680
H11	0.904	-1.353	-1.680

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6223	1.6223	1.9571	1.9571	2.5158	2.5158	2.5224	2.5224	2.5224	2.5224
O2	1.6223		2.8292	2.9245	2.9245	3.1906	3.1906	3.8228	3.0817	3.0817	3.8228
O3	1.6223	2.8292		2.9245	2.9245	3.1906	3.1906	3.0817	3.8228	3.8228	3.0817
C4	1.9571	2.9245	2.9245		2.8967	1.0950	3.8832	1.0954	1.0954	3.0066	3.0066
C5	1.9571	2.9245	2.9245	2.8967		3.8832	1.0950	3.0066	3.0066	1.0954	1.0954
H6	2.5158	3.1906	3.1906	1.0950	3.8832		4.7918	1.8027	1.8027	4.0272	4.0272
H7	2.5158	3.1906	3.1906	3.8832	1.0950	4.7918		4.0272	4.0272	1.8027	1.8027
H8	2.5224	3.8228	3.0817	1.0954	3.0066	1.8027	4.0272		1.8086	3.2552	2.7065
H9	2.5224	3.0817	3.8228	1.0954	3.0066	1.8027	4.0272	1.8086		2.7065	3.2552
H10	2.5224	3.0817	3.8228	3.0066	1.0954	4.0272	1.8027	3.2552	2.7065		1.8086
H11	2.5224	3.8228	3.0817	3.0066	1.0954	4.0272	1.8027	2.7065	3.2552	1.8086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	107.652	S1	C4	H8	108.105
S1	C4	H9	108.105	S1	C5	H7	107.652
S1	C5	H10	108.105	S1	C5	H11	108.105
O2	S1	O3	121.381	O2	S1	C4	109.223
O2	S1	C5	109.223	O3	S1	C4	109.223
O3	S1	C5	109.223	C4	S1	C5	95.469
H6	C4	H8	110.768	H6	C4	H9	110.768
H7	C5	H10	110.768	H7	C5	H11	110.768
H8	C4	H9	111.296	H10	C5	H11	111.296

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

using model chemistry: mPW1PW91/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	0.783
2	O	-0.357
3	O	-0.357
4	C	-0.312
5	C	-0.312
6	H	0.095
7	H	0.095
8	H	0.091
9	H	0.091
10	H	0.091
11	H	0.091

<r²>	145.235
(<r²>)^1/2	12.051

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

using model chemistry: mPW1PW91/STO-3G

States and conformations

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