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	hartrees
Energy at 0K	-552.425706
Energy at 298.15K	-552.432766
HF Energy	-551.650054
Nuclear repulsion energy	185.244847

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'	3197	3016	1.27	84.01	0.71	0.83
2	A'	3188	3007	4.48	81.28	0.74	0.85
3	A'	3072	2898	5.57	287.87	0.00	0.00
4	A'	1499	1414	17.82	0.80	0.70	0.82
5	A'	1475	1391	4.23	7.94	0.71	0.83
6	A'	1352	1275	13.07	4.48	0.03	0.05
7	A'	1139	1074	154.03	12.95	0.41	0.58
8	A'	1038	979	14.32	0.38	0.70	0.82
9	A'	970	915	5.67	0.82	0.72	0.84
10	A'	698	658	7.62	27.80	0.11	0.19
11	A'	378	357	6.57	1.68	0.21	0.35
12	A'	295	279	0.32	2.68	0.74	0.85
13	A'	257	243	0.31	0.08	0.53	0.69
14	A"	3196	3016	0.32	32.03	0.75	0.86
15	A"	3184	3003	0.04	8.45	0.75	0.86
16	A"	3072	2898	2.23	0.87	0.75	0.86
17	A"	1478	1394	0.04	8.47	0.75	0.86
18	A"	1459	1377	9.36	0.80	0.75	0.86
19	A"	1331	1256	2.89	0.84	0.75	0.86
20	A"	942	888	8.55	0.49	0.75	0.86
21	A"	903	852	2.71	0.29	0.75	0.86
22	A"	720	679	15.14	12.84	0.75	0.86
23	A"	325	306	8.21	3.75	0.75	0.86
24	A"	199	188	0.00	0.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.257	0.426	0.000
O2	-1.089	1.061	0.000
C3	0.257	-0.776	1.331
C4	0.257	-0.776	-1.331
H5	1.173	-1.364	1.299
H6	1.173	-1.364	-1.299
H7	0.206	-0.218	2.263
H8	0.206	-0.218	-2.263
H9	-0.623	-1.408	1.226
H10	-0.623	-1.408	-1.226

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.4887	1.7937	1.7937	2.3935	2.3935	2.3532	2.3532	2.3755	2.3755
O2	1.4887		2.6385	2.6385	3.5619	3.5619	2.9041	2.9041	2.7964	2.7964
C3	1.7937	2.6385		2.6628	1.0890	2.8466	1.0870	3.6376	1.0890	2.7780
C4	1.7937	2.6385	2.6628		2.8466	1.0890	3.6376	1.0870	2.7780	1.0890
H5	2.3935	3.5619	1.0890	2.8466		2.5976	1.7827	3.8644	1.7989	3.0996
H6	2.3935	3.5619	2.8466	1.0890	2.5976		3.8644	1.7827	3.0996	1.7989
H7	2.3532	2.9041	1.0870	3.6376	1.7827	3.8644		4.5256	1.7826	3.7786
H8	2.3532	2.9041	3.6376	1.0870	3.8644	1.7827	4.5256		3.7786	1.7826
H9	2.3755	2.7964	1.0890	2.7780	1.7989	3.0996	1.7826	3.7786		2.4529
H10	2.3755	2.7964	2.7780	1.0890	3.0996	1.7989	3.7786	1.7826	2.4529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.836	S1	C3	H7	106.978
S1	C3	H9	108.504	S1	C4	H6	109.836
S1	C4	H8	106.978	S1	C4	H10	108.504
O2	S1	C3	106.623	O2	S1	C4	106.623
C3	S1	C4	95.848	H5	C3	H7	110.025
H5	C3	H9	111.370	H6	C4	H8	110.025
H6	C4	H10	111.370	H7	C3	H9	110.016
H8	C4	H10	110.016

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

using model chemistry: MP2/6-311+G(3df,2p)

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: MP2/6-311+G(3df,2p)

States and conformations

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