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	hartrees
Energy at 0K	-40.591979
Energy at 298.15K	-40.598866
HF Energy	-40.037699
Nuclear repulsion energy	71.587330

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'	3219	3056	8.89	82.68	0.73	0.85
2	A'	3213	3050	25.43	94.69	0.74	0.85
3	A'	3088	2932	16.41	227.26	0.01	0.01
4	A'	1501	1425	21.06	1.63	0.68	0.81
5	A'	1478	1403	2.82	16.54	0.75	0.86
6	A'	1385	1315	9.19	5.07	0.05	0.10
7	A'	1087	1032	144.57	5.75	0.58	0.74
8	A'	1052	999	24.58	12.00	0.67	0.81
9	A'	987	937	16.48	7.94	0.75	0.86
10	A'	686	651	9.20	36.58	0.10	0.19
11	A'	365	347	7.33	2.61	0.50	0.67
12	A'	287	273	0.56	2.34	0.75	0.86
13	A'	236	224	0.66	0.23	0.61	0.76
14	A"	3217	3055	3.00	36.90	0.75	0.86
15	A"	3210	3048	0.06	6.76	0.75	0.86
16	A"	3088	2931	11.39	2.11	0.75	0.86
17	A"	1483	1408	0.33	20.97	0.75	0.86
18	A"	1464	1390	9.99	2.93	0.75	0.86
19	A"	1363	1294	1.37	0.40	0.75	0.86
20	A"	962	913	4.81	13.00	0.75	0.86
21	A"	920	873	3.33	0.94	0.75	0.86
22	A"	712	676	15.66	23.50	0.75	0.86
23	A"	311	295	9.09	4.28	0.75	0.86
24	A"	158	150	0.00	0.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.267	0.439	0.000
O2	-1.129	1.071	0.000
C3	0.267	-0.792	1.358
C4	0.267	-0.792	-1.358
H5	1.198	-1.385	1.341
H6	1.198	-1.385	-1.341
H7	0.199	-0.222	2.299
H8	0.199	-0.222	-2.299
H9	-0.621	-1.436	1.247
H10	-0.621	-1.436	-1.247

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5332	1.8325	1.8325	2.4476	2.4476	2.3927	2.3927	2.4202	2.4202
O2	1.5332		2.6955	2.6955	3.6402	3.6402	2.9531	2.9531	2.8460	2.8460
C3	1.8325	2.6955		2.7162	1.1045	2.9159	1.1017	3.7015	1.1031	2.8265
C4	1.8325	2.6955	2.7162		2.9159	1.1045	3.7015	1.1017	2.8265	1.1031
H5	2.4476	3.6402	1.1045	2.9159		2.6813	1.8083	3.9493	1.8229	3.1636
H6	2.4476	3.6402	2.9159	1.1045	2.6813		3.9493	1.8083	3.1636	1.8229
H7	2.3927	2.9531	1.1017	3.7015	1.8083	3.9493		4.5973	1.8034	3.8360
H8	2.3927	2.9531	3.7015	1.1017	3.9493	1.8083	4.5973		3.8360	1.8034
H9	2.4202	2.8460	1.1031	2.8265	1.8229	3.1636	1.8034	3.8360		2.4934
H10	2.4202	2.8460	2.8265	1.1031	3.1636	1.8229	3.8360	1.8034	2.4934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.432	S1	C3	H7	106.600
S1	C3	H9	108.498	S1	C4	H6	110.432
S1	C4	H8	106.600	S1	C4	H10	108.498
O2	S1	C3	106.090	O2	S1	C4	106.090
C3	S1	C4	95.654	H5	C3	H7	110.102
H5	C3	H9	111.323	H6	C4	H8	110.102
H6	C4	H10	111.323	H7	C3	H9	109.760
H8	C4	H10	109.760

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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