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	hartrees
Energy at 0K	-628.430982
Energy at 298.15K
HF Energy	-628.430982
Nuclear repulsion energy	275.512595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	3029	0.68
2	A₁	3063	2932	1.53
3	A₁	1454	1392	3.21
4	A₁	1344	1287	24.88
5	A₁	1181	1131	155.00
6	A₁	1005	962	2.55
7	A₁	686	657	10.49
8	A₁	492	471	22.62
9	A₁	270	258	2.80
10	A₂	3169	3033	0.00
11	A₂	1441	1380	0.00
12	A₂	926	886	0.00
13	A₂	296	284	0.00
14	A₂	186	178	0.00
15	B₁	3173	3037	1.46
16	B₁	1460	1398	3.28
17	B₁	1372	1313	257.44
18	B₁	985	943	1.59
19	B₁	359	343	0.18
20	B₁	217	208	0.46
21	B₂	3163	3028	0.99
22	B₂	3061	2930	0.16
23	B₂	1443	1381	6.09
24	B₂	1328	1271	18.02
25	B₂	937	897	74.67
26	B₂	746	714	37.01
27	B₂	458	439	31.41

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.187
O2	-1.247	0.000	0.905
O3	1.247	0.000	0.905
C4	0.000	1.401	-0.907
C5	0.000	-1.401	-0.907
H6	0.000	2.277	-0.261
H7	0.000	-2.277	-0.261
H8	0.900	1.387	-1.518
H9	-0.900	1.387	-1.518
H10	-0.900	-1.387	-1.518
H11	0.900	-1.387	-1.518

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4393	1.4393	1.7777	1.7777	2.3206	2.3206	2.3753	2.3753	2.3753	2.3753
O2	1.4393		2.4947	2.6084	2.6084	2.8461	2.8461	3.5226	2.8135	2.8135	3.5226
O3	1.4393	2.4947		2.6084	2.6084	2.8461	2.8461	2.8135	3.5226	3.5226	2.8135
C4	1.7777	2.6084	2.6084		2.8011	1.0889	3.7338	1.0879	1.0879	2.9922	2.9922
C5	1.7777	2.6084	2.6084	2.8011		3.7338	1.0889	2.9922	2.9922	1.0879	1.0879
H6	2.3206	2.8461	2.8461	1.0889	3.7338		4.5537	1.7839	1.7839	3.9767	3.9767
H7	2.3206	2.8461	2.8461	3.7338	1.0889	4.5537		3.9767	3.9767	1.7839	1.7839
H8	2.3753	3.5226	2.8135	1.0879	2.9922	1.7839	3.9767		1.8009	3.3072	2.7739
H9	2.3753	2.8135	3.5226	1.0879	2.9922	1.7839	3.9767	1.8009		2.7739	3.3072
H10	2.3753	2.8135	3.5226	2.9922	1.0879	3.9767	1.7839	3.3072	2.7739		1.8009
H11	2.3753	3.5226	2.8135	2.9922	1.0879	3.9767	1.7839	2.7739	3.3072	1.8009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.571	S1	C4	H8	109.615
S1	C4	H9	109.615	S1	C5	H7	105.571
S1	C5	H10	109.615	S1	C5	H11	109.615
O2	S1	O3	120.145	O2	S1	C4	107.894
O2	S1	C5	107.894	O3	S1	C4	107.894
O3	S1	C5	107.894	C4	S1	C5	103.971
H6	C4	H8	110.066	H6	C4	H9	110.066
H7	C5	H10	110.066	H7	C5	H11	110.066
H8	C4	H9	111.723	H10	C5	H11	111.723

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

using model chemistry: B3PW91/6-311+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	0.619
2	O	-0.477
3	O	-0.477
4	C	-0.333
5	C	-0.333
6	H	0.159
7	H	0.159
8	H	0.171
9	H	0.171
10	H	0.171
11	H	0.171

<r²>	126.096
(<r²>)^1/2	11.229

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

using model chemistry: B3PW91/6-311+G(3df,2p)

States and conformations

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