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	hartrees
Energy at 0K	-552.136311
Energy at 298.15K	-552.143330
HF Energy	-551.535964
Nuclear repulsion energy	183.432091

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'	3233	3047	2.44	97.49	0.72	0.83
2	A'	3225	3038	6.63	91.42	0.74	0.85
3	A'	3112	2932	4.81	182.01	0.00	0.01
4	A'	1540	1451	23.62	2.93	0.74	0.85
5	A'	1515	1428	3.38	25.01	0.73	0.84
6	A'	1420	1338	12.00	0.71	0.74	0.85
7	A'	1152	1086	130.59	5.48	0.46	0.63
8	A'	1076	1014	22.99	6.82	0.61	0.76
9	A'	1012	953	12.06	7.84	0.73	0.85
10	A'	702	661	10.29	26.64	0.11	0.20
11	A'	378	356	8.58	1.30	0.26	0.41
12	A'	302	284	0.85	1.46	0.75	0.85
13	A'	247	232	0.62	0.08	0.55	0.71
14	A"	3233	3046	1.12	34.79	0.75	0.86
15	A"	3222	3035	0.00	6.12	0.75	0.86
16	A"	3111	2931	2.13	0.34	0.75	0.86
17	A"	1520	1432	0.90	31.06	0.75	0.86
18	A"	1501	1414	11.00	4.30	0.75	0.86
19	A"	1398	1317	4.07	1.34	0.75	0.86
20	A"	982	925	6.64	5.99	0.75	0.86
21	A"	943	888	2.53	0.81	0.75	0.86
22	A"	732	690	21.29	15.34	0.75	0.86
23	A"	304	287	8.24	3.43	0.75	0.86
24	A"	185	174	0.00	0.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.258	0.423	0.000
O2	-1.093	1.096	0.000
C3	0.258	-0.788	1.340
C4	0.258	-0.788	-1.340
H5	1.168	-1.392	1.305
H6	1.168	-1.392	-1.305
H7	0.219	-0.235	2.280
H8	0.219	-0.235	-2.280
H9	-0.630	-1.418	1.256
H10	-0.630	-1.418	-1.256

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5099	1.8062	1.8062	2.4135	2.4135	2.3730	2.3730	2.3997	2.3997
O2	1.5099		2.6780	2.6780	3.6065	3.6065	2.9481	2.9481	2.8484	2.8484
C3	1.8062	2.6780		2.6800	1.0927	2.8615	1.0911	3.6619	1.0927	2.8155
C4	1.8062	2.6780	2.6800		2.8615	1.0927	3.6619	1.0911	2.8155	1.0927
H5	2.4135	3.6065	1.0927	2.8615		2.6098	1.7858	3.8843	1.7996	3.1297
H6	2.4135	3.6065	2.8615	1.0927	2.6098		3.8843	1.7858	3.1297	1.7996
H7	2.3730	2.9481	1.0911	3.6619	1.7858	3.8843		4.5593	1.7805	3.8242
H8	2.3730	2.9481	3.6619	1.0911	3.8843	1.7858	4.5593		3.8242	1.7805
H9	2.3997	2.8484	1.0927	2.8155	1.7996	3.1297	1.7805	3.8242		2.5123
H10	2.3997	2.8484	2.8155	1.0927	3.1297	1.7996	3.8242	1.7805	2.5123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.286	S1	C3	H7	107.393
S1	C3	H9	109.262	S1	C4	H6	110.286
S1	C4	H8	107.393	S1	C4	H10	109.262
O2	S1	C3	107.381	O2	S1	C4	107.381
C3	S1	C4	95.780	H5	C3	H7	109.724
H5	C3	H9	110.863	H6	C4	H8	109.724
H6	C4	H10	110.863	H7	C3	H9	109.240
H8	C4	H10	109.240

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

using model chemistry: MP2=FULL/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 CH3SOCH3 (Dimethyl sulfoxide)

using model chemistry: MP2=FULL/6-31G*

States and conformations

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