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	hartrees
Energy at 0K	-627.210969
Energy at 298.15K
HF Energy	-626.387582
Nuclear repulsion energy	271.506511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3188	3067
2	A₁	3083	2967
3	A₁	1502	1445
4	A₁	1412	1359
5	A₁	1152	1108
6	A₁	1040	1001
7	A₁	700	673
8	A₁	483	464
9	A₁	273	263
10	A₂	3189	3068
11	A₂	1490	1434
12	A₂	979	942
13	A₂	289	278
14	A₂	196	189
15	B₁	3192	3071
16	B₁	1506	1449
17	B₁	1342	1291
18	B₁	1034	995
19	B₁	362	349
20	B₁	227	218
21	B₂	3187	3066
22	B₂	3081	2964
23	B₂	1493	1437
24	B₂	1394	1341
25	B₂	991	954
26	B₂	779	749
27	B₂	448	431

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.191
O2	-1.281	0.000	0.915
O3	1.281	0.000	0.915
C4	0.000	1.409	-0.917
C5	0.000	-1.409	-0.917
H6	0.000	2.300	-0.279
H7	0.000	-2.300	-0.279
H8	0.904	1.392	-1.533
H9	-0.904	1.392	-1.533
H10	-0.904	-1.392	-1.533
H11	0.904	-1.392	-1.533

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4718	1.4718	1.7924	1.7924	2.3471	2.3471	2.3931	2.3931	2.3931	2.3931
O2	1.4718		2.5624	2.6426	2.6426	2.8905	2.8905	3.5648	2.8416	2.8416	3.5648
O3	1.4718	2.5624		2.6426	2.6426	2.8905	2.8905	2.8416	3.5648	3.5648	2.8416
C4	1.7924	2.6426	2.6426		2.8187	1.0954	3.7636	1.0946	1.0946	3.0073	3.0073
C5	1.7924	2.6426	2.6426	2.8187		3.7636	1.0954	3.0073	3.0073	1.0946	1.0946
H6	2.3471	2.8905	2.8905	1.0954	3.7636		4.5995	1.7935	1.7935	4.0024	4.0024
H7	2.3471	2.8905	2.8905	3.7636	1.0954	4.5995		4.0024	4.0024	1.7935	1.7935
H8	2.3931	3.5648	2.8416	1.0946	3.0073	1.7935	4.0024		1.8083	3.3193	2.7834
H9	2.3931	2.8416	3.5648	1.0946	3.0073	1.7935	4.0024	1.8083		2.7834	3.3193
H10	2.3931	2.8416	3.5648	3.0073	1.0946	4.0024	1.7935	3.3193	2.7834		1.8083
H11	2.3931	3.5648	2.8416	3.0073	1.0946	4.0024	1.7935	2.7834	3.3193	1.8083

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.216	S1	C4	H8	109.600
S1	C4	H9	109.600	S1	C5	H7	106.216
S1	C5	H10	109.600	S1	C5	H11	109.600
O2	S1	O3	121.030	O2	S1	C4	107.704
O2	S1	C5	107.704	O3	S1	C4	107.704
O3	S1	C5	107.704	C4	S1	C5	103.685
H6	C4	H8	109.957	H6	C4	H9	109.957
H7	C5	H10	109.957	H7	C5	H11	109.957
H8	C4	H9	111.376	H10	C5	H11	111.376

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

using model chemistry: CCSD(T)/6-31G*

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: CCSD(T)/6-31G*

States and conformations

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