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	hartrees
Energy at 0K	-626.299831
Energy at 298.15K
HF Energy	-626.299831
Nuclear repulsion energy	273.205129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3101	3063	0.48
2	A₁	2993	2956	0.30
3	A₁	1380	1363	7.12
4	A₁	1283	1267	38.65
5	A₁	1131	1117	161.28
6	A₁	968	956	5.42
7	A₁	671	663	12.00
8	A₁	462	456	23.62
9	A₁	262	259	2.81
10	A₂	3108	3069	0.00
11	A₂	1362	1345	0.00
12	A₂	880	869	0.00
13	A₂	278	275	0.00
14	A₂	178	176	0.00
15	B₁	3111	3072	0.13
16	B₁	1381	1364	8.64
17	B₁	1327	1311	230.40
18	B₁	946	935	3.83
19	B₁	342	338	0.22
20	B₁	215	212	0.75
21	B₂	3100	3062	3.87
22	B₂	2991	2954	2.53
23	B₂	1367	1350	10.26
24	B₂	1262	1246	41.57
25	B₂	907	896	85.39
26	B₂	723	714	39.24
27	B₂	435	430	31.77

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.191
O2	-1.272	0.000	0.909
O3	1.272	0.000	0.909
C4	0.000	1.396	-0.914
C5	0.000	-1.396	-0.914
H6	0.000	2.281	-0.261
H7	0.000	-2.281	-0.261
H8	0.911	1.384	-1.527
H9	-0.911	1.384	-1.527
H10	-0.911	-1.384	-1.527
H11	0.911	-1.384	-1.527

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4608	1.4608	1.7799	1.7799	2.3253	2.3253	2.3869	2.3869	2.3869	2.3869
O2	1.4608		2.5435	2.6248	2.6248	2.8620	2.8620	3.5521	2.8257	2.8257	3.5521
O3	1.4608	2.5435		2.6248	2.6248	2.8620	2.8620	2.8257	3.5521	3.5521	2.8257
C4	1.7799	2.6248	2.6248		2.7920	1.0994	3.7344	1.0982	1.0982	2.9895	2.9895
C5	1.7799	2.6248	2.6248	2.7920		3.7344	1.0994	2.9895	2.9895	1.0982	1.0982
H6	2.3253	2.8620	2.8620	1.0994	3.7344		4.5620	1.7988	1.7988	3.9834	3.9834
H7	2.3253	2.8620	2.8620	3.7344	1.0994	4.5620		3.9834	3.9834	1.7988	1.7988
H8	2.3869	3.5521	2.8257	1.0982	2.9895	1.7988	3.9834		1.8214	3.3143	2.7690
H9	2.3869	2.8257	3.5521	1.0982	2.9895	1.7988	3.9834	1.8214		2.7690	3.3143
H10	2.3869	2.8257	3.5521	2.9895	1.0982	3.9834	1.7988	3.3143	2.7690		1.8214
H11	2.3869	3.5521	2.8257	2.9895	1.0982	3.9834	1.7988	2.7690	3.3143	1.8214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.266	S1	C4	H8	109.781
S1	C4	H9	109.781	S1	C5	H7	105.266
S1	C5	H10	109.781	S1	C5	H11	109.781
O2	S1	O3	121.049	O2	S1	C4	107.774
O2	S1	C5	107.774	O3	S1	C4	107.774
O3	S1	C5	107.774	C4	S1	C5	103.312
H6	C4	H8	109.875	H6	C4	H9	109.875
H7	C5	H10	109.875	H7	C5	H11	109.875
H8	C4	H9	112.042	H10	C5	H11	112.042

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

using model chemistry: LSDA/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	0.814
2	O	-0.441
3	O	-0.441
4	C	-0.602
5	C	-0.602
6	H	0.232
7	H	0.232
8	H	0.202
9	H	0.202
10	H	0.202
11	H	0.202

<r²>	127.809
(<r²>)^1/2	11.305

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

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

States and conformations

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