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	hartrees
Energy at 0K	-627.166954
Energy at 298.15K
HF Energy	-626.462481
Nuclear repulsion energy	275.854099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3278	3033	0.90
2	A₁	3177	2939	1.90
3	A₁	1541	1426	5.41
4	A₁	1468	1359	25.62
5	A₁	1215	1125	217.84
6	A₁	1085	1004	0.06
7	A₁	744	688	9.07
8	A₁	516	477	39.70
9	A₁	289	267	2.52
10	A₂	3284	3039	0.00
11	A₂	1528	1414	0.00
12	A₂	1009	934	0.00
13	A₂	316	292	0.00
14	A₂	199	184	0.00
15	B₁	3289	3043	3.13
16	B₁	1546	1430	14.91
17	B₁	1413	1307	288.82
18	B₁	1074	994	1.25
19	B₁	383	354	1.33
20	B₁	232	215	0.71
21	B₂	3277	3032	0.26
22	B₂	3173	2936	0.01
23	B₂	1532	1417	6.55
24	B₂	1450	1342	25.44
25	B₂	1025	949	77.76
26	B₂	813	752	41.71
27	B₂	487	451	55.73

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.188
O2	-1.250	0.000	0.902
O3	1.250	0.000	0.902
C4	0.000	1.397	-0.904
C5	0.000	-1.397	-0.904
H6	0.000	2.275	-0.269
H7	0.000	-2.275	-0.269
H8	0.896	1.385	-1.513
H9	-0.896	1.385	-1.513
H10	-0.896	-1.385	-1.513
H11	0.896	-1.385	-1.513

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4396	1.4396	1.7731	1.7731	2.3208	2.3208	2.3696	2.3696	2.3696	2.3696
O2	1.4396		2.5002	2.6032	2.6032	2.8479	2.8479	3.5153	2.8065	2.8065	3.5153
O3	1.4396	2.5002		2.6032	2.6032	2.8479	2.8479	2.8065	3.5153	3.5153	2.8065
C4	1.7731	2.6032	2.6032		2.7934	1.0845	3.7267	1.0834	1.0834	2.9850	2.9850
C5	1.7731	2.6032	2.6032	2.7934		3.7267	1.0845	2.9850	2.9850	1.0834	1.0834
H6	2.3208	2.8479	2.8479	1.0845	3.7267		4.5507	1.7734	1.7734	3.9684	3.9684
H7	2.3208	2.8479	2.8479	3.7267	1.0845	4.5507		3.9684	3.9684	1.7734	1.7734
H8	2.3696	3.5153	2.8065	1.0834	2.9850	1.7734	3.9684		1.7921	3.2988	2.7695
H9	2.3696	2.8065	3.5153	1.0834	2.9850	1.7734	3.9684	1.7921		2.7695	3.2988
H10	2.3696	2.8065	3.5153	2.9850	1.0834	3.9684	1.7734	3.2988	2.7695		1.7921
H11	2.3696	3.5153	2.8065	2.9850	1.0834	3.9684	1.7734	2.7695	3.2988	1.7921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.090	S1	C4	H8	109.729
S1	C4	H9	109.729	S1	C5	H7	106.090
S1	C5	H10	109.729	S1	C5	H11	109.729
O2	S1	O3	120.534	O2	S1	C4	107.791
O2	S1	C5	107.791	O3	S1	C4	107.791
O3	S1	C5	107.791	C4	S1	C5	103.940
H6	C4	H8	109.775	H6	C4	H9	109.775
H7	C5	H10	109.775	H7	C5	H11	109.775
H8	C4	H9	111.594	H10	C5	H11	111.594

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

using model chemistry: CISD/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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All results from a given calculation for C2H6O2S (Dimethyl sulfone)

using model chemistry: CISD/6-311G*

States and conformations

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