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	hartrees
Energy at 0K	-40.221610
Energy at 298.15K	-40.228012
HF Energy	-39.892035
Nuclear repulsion energy	68.434752

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'	3206	3098	12.57	80.74	0.73	0.84
2	A'	3197	3089	37.01	98.63	0.73	0.84
3	A'	3055	2952	28.81	250.82	0.01	0.01
4	A'	1483	1433	24.77	4.51	0.74	0.85
5	A'	1464	1415	5.98	18.62	0.73	0.84
6	A'	1404	1356	2.56	4.80	0.06	0.12
7	A'	1053	1018	22.93	16.62	0.69	0.82
8	A'	1024	990	12.90	9.40	0.74	0.85
9	A'	768	742	52.32	9.32	0.73	0.85
10	A'	613	592	5.77	58.53	0.11	0.19
11	A'	296	286	7.61	4.95	0.55	0.71
12	A'	241	233	1.76	4.13	0.74	0.85
13	A'	177	171	0.58	0.19	0.64	0.78
14	A"	3205	3097	4.48	45.39	0.75	0.86
15	A"	3195	3087	0.23	10.23	0.75	0.86
16	A"	3055	2952	22.16	2.94	0.75	0.86
17	A"	1471	1421	1.47	23.20	0.75	0.86
18	A"	1453	1404	9.87	5.49	0.75	0.86
19	A"	1377	1331	0.17	0.35	0.75	0.86
20	A"	984	951	0.13	19.21	0.75	0.86
21	A"	939	908	1.37	1.25	0.75	0.86
22	A"	659	637	5.18	34.40	0.75	0.86
23	A"	259	250	12.89	6.94	0.75	0.86
24	A"	106	102	0.05	0.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.309	0.459	0.000
O2	-1.305	1.027	0.000
C3	0.309	-0.795	1.440
C4	0.309	-0.795	-1.440
H5	1.268	-1.351	1.461
H6	1.268	-1.351	-1.461
H7	0.180	-0.195	2.359
H8	0.180	-0.195	-2.359
H9	-0.559	-1.465	1.294
H10	-0.559	-1.465	-1.294

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.7113	1.9098	1.9098	2.5154	2.5154	2.4520	2.4520	2.4762	2.4762
O2	1.7113		2.8283	2.8283	3.7954	3.7954	3.0438	3.0438	2.9052	2.9052
C3	1.9098	2.8283		2.8809	1.1081	3.1054	1.1049	3.8491	1.1067	2.9465
C4	1.9098	2.8283	2.8809		3.1054	1.1081	3.8491	1.1049	2.9465	1.1067
H5	2.5154	3.7954	1.1081	3.1054		2.9213	1.8240	4.1367	1.8380	3.3076
H6	2.5154	3.7954	3.1054	1.1081	2.9213		4.1367	1.8240	3.3076	1.8380
H7	2.4520	3.0438	1.1049	3.8491	1.8240	4.1367		4.7190	1.8145	3.9380
H8	2.4520	3.0438	3.8491	1.1049	4.1367	1.8240	4.7190		3.9380	1.8145
H9	2.4762	2.9052	1.1067	2.9465	1.8380	3.3076	1.8145	3.9380		2.5885
H10	2.4762	2.9052	2.9465	1.1067	3.3076	1.8380	3.9380	1.8145	2.5885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.066	S1	C3	H7	105.734
S1	C3	H9	107.337	S1	C4	H6	110.066
S1	C4	H8	105.734	S1	C4	H10	107.337
O2	S1	C3	102.579	O2	S1	C4	102.579
C3	S1	C4	97.920	H5	C3	H7	111.014
H5	C3	H9	112.168	H6	C4	H8	111.014
H6	C4	H10	112.168	H7	C3	H9	110.256
H8	C4	H10	110.256

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)