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	hartrees
Energy at 0K	-623.606757
Energy at 298.15K
HF Energy	-623.027414
Nuclear repulsion energy	255.238930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3185	3117
2	A₁	3069	3004
3	A₁	1518	1486
4	A₁	1388	1359
5	A₁	1052	1030
6	A₁	933	913
7	A₁	535	523
8	A₁	407	399
9	A₁	243	238
10	A₂	3180	3113
11	A₂	1518	1486
12	A₂	934	914
13	A₂	204	200
14	A₂	133	130
15	B₁	3183	3116
16	B₁	1532	1500
17	B₁	1161	1137
18	B₁	969	949
19	B₁	282	276
20	B₁	161	158
21	B₂	3184	3116
22	B₂	3067	3002
23	B₂	1509	1477
24	B₂	1365	1336
25	B₂	951	931
26	B₂	604	592
27	B₂	320	314

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.213
O2	-1.378	0.000	1.013
O3	1.378	0.000	1.013
C4	0.000	1.455	-1.023
C5	0.000	-1.455	-1.023
H6	0.000	2.370	-0.424
H7	0.000	-2.370	-0.424
H8	0.910	1.372	-1.624
H9	-0.910	1.372	-1.624
H10	-0.910	-1.372	-1.624
H11	0.910	-1.372	-1.624

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.5931	1.5931	1.9091	1.9091	2.4541	2.4541	2.4675	2.4675	2.4675	2.4675
O2	1.5931		2.7555	2.8566	2.8566	3.0951	3.0951	3.7515	3.0096	3.0096	3.7515
O3	1.5931	2.7555		2.8566	2.8566	3.0951	3.0951	3.0096	3.7515	3.7515	3.0096
C4	1.9091	2.8566	2.8566		2.9097	1.0938	3.8715	1.0941	1.0941	3.0303	3.0303
C5	1.9091	2.8566	2.8566	2.9097		3.8715	1.0938	3.0303	3.0303	1.0941	1.0941
H6	2.4541	3.0951	3.0951	1.0938	3.8715		4.7400	1.8070	1.8070	4.0341	4.0341
H7	2.4541	3.0951	3.0951	3.8715	1.0938	4.7400		4.0341	4.0341	1.8070	1.8070
H8	2.4675	3.7515	3.0096	1.0941	3.0303	1.8070	4.0341		1.8205	3.2934	2.7444
H9	2.4675	3.0096	3.7515	1.0941	3.0303	1.8070	4.0341	1.8205		2.7444	3.2934
H10	2.4675	3.0096	3.7515	3.0303	1.0941	4.0341	1.8070	3.2934	2.7444		1.8205
H11	2.4675	3.7515	3.0096	3.0303	1.0941	4.0341	1.8070	2.7444	3.2934	1.8205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.435	S1	C4	H8	107.361
S1	C4	H9	107.361	S1	C5	H7	106.435
S1	C5	H10	107.361	S1	C5	H11	107.361
O2	S1	O3	119.727	O2	S1	C4	108.971
O2	S1	C5	108.971	O3	S1	C4	108.971
O3	S1	C5	108.971	C4	S1	C5	99.289
H6	C4	H8	111.361	H6	C4	H9	111.361
H7	C5	H10	111.361	H7	C5	H11	111.361
H8	C4	H9	112.601	H10	C5	H11	112.601

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

using model chemistry: MP4=FULL/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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All results from a given calculation for C2H6O2S (Dimethyl sulfone)

using model chemistry: MP4=FULL/3-21G

States and conformations

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