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	hartrees
Energy at 0K	-552.511894
Energy at 298.15K	-552.518904
HF Energy	-551.649191
Nuclear repulsion energy	185.043067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3202	3040	1.64	90.21	0.70	0.82
2	A'	3196	3034	5.01	86.22	0.72	0.84
3	A'	3094	2938	6.00	262.48	0.00	0.00
4	A'	1502	1426	17.84	1.56	0.75	0.85
5	A'	1478	1403	4.24	11.72	0.70	0.82
6	A'	1345	1277	13.41	2.92	0.06	0.11
7	A'	1142	1084	127.35	7.62	0.52	0.68
8	A'	1033	981	13.83	0.99	0.33	0.50
9	A'	966	917	5.32	2.01	0.72	0.84
10	A'	693	658	9.19	26.57	0.10	0.18
11	A'	375	356	6.85	1.65	0.43	0.61
12	A'	291	277	0.44	2.41	0.75	0.86
13	A'	248	235	0.57	0.08	0.43	0.60
14	A"	3201	3039	0.56	34.64	0.75	0.86
15	A"	3192	3031	0.00	7.28	0.75	0.86
16	A"	3094	2937	2.41	0.35	0.75	0.86
17	A"	1482	1407	0.01	13.21	0.75	0.86
18	A"	1462	1388	8.64	1.15	0.75	0.86
19	A"	1324	1257	2.98	0.17	0.75	0.86
20	A"	933	886	7.92	1.51	0.75	0.86
21	A"	897	851	2.69	0.02	0.75	0.86
22	A"	713	677	17.60	12.91	0.75	0.86
23	A"	319	303	9.16	3.54	0.75	0.86
24	A"	187	177	0.00	0.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.260	0.431	0.000
O2	-1.099	1.053	0.000
C3	0.260	-0.778	1.330
C4	0.260	-0.778	-1.330
H5	1.174	-1.363	1.305
H6	1.174	-1.363	-1.305
H7	0.198	-0.223	2.258
H8	0.198	-0.223	-2.258
H9	-0.617	-1.406	1.215
H10	-0.617	-1.406	-1.215

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.4947	1.7977	1.7977	2.3988	2.3988	2.3515	2.3515	2.3706	2.3706
O2	1.4947		2.6402	2.6402	3.5642	3.5642	2.8999	2.8999	2.7847	2.7847
C3	1.7977	2.6402		2.6599	1.0847	2.8491	1.0829	3.6309	1.0847	2.7642
C4	1.7977	2.6402	2.6599		2.8491	1.0847	3.6309	1.0829	2.7642	1.0847
H5	2.3988	3.5642	1.0847	2.8491		2.6094	1.7770	3.8653	1.7937	3.0917
H6	2.3988	3.5642	2.8491	1.0847	2.6094		3.8653	1.7770	3.0917	1.7937
H7	2.3515	2.8999	1.0829	3.6309	1.7770	3.8653		4.5155	1.7748	3.7581
H8	2.3515	2.8999	3.6309	1.0829	3.8653	1.7770	4.5155		3.7581	1.7748
H9	2.3706	2.7847	1.0847	2.7642	1.7937	3.0917	1.7748	3.7581		2.4301
H10	2.3706	2.7847	2.7642	1.0847	3.0917	1.7937	3.7581	1.7748	2.4301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.193	S1	C3	H7	106.799
S1	C3	H9	108.101	S1	C4	H6	110.193
S1	C4	H8	106.799	S1	C4	H10	108.101
O2	S1	C3	106.263	O2	S1	C4	106.263
C3	S1	C4	95.432	H5	C3	H7	110.135
H5	C3	H9	111.549	H6	C4	H8	110.135
H6	C4	H10	111.549	H7	C3	H9	109.930
H8	C4	H10	109.930

All results from a given calculation for CH₃SOCH₃ (Dimethyl sulfoxide)

using model chemistry: MP2=FULL/cc-pVTZ

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 CH3SOCH3 (Dimethyl sulfoxide)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SOCH₃ (Dimethyl sulfoxide)