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	hartrees
Energy at 0K	-552.189962
Energy at 298.15K	-552.196828
HF Energy	-551.555028
Nuclear repulsion energy	182.369909

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'	3222	3062	2.94	104.69	0.72	0.84
2	A'	3216	3056	6.44	98.41	0.73	0.85
3	A'	3086	2933	8.11	230.73	0.00	0.01
4	A'	1479	1405	16.71	2.28	0.75	0.85
5	A'	1453	1381	4.69	19.37	0.72	0.84
6	A'	1330	1264	9.50	0.98	0.10	0.19
7	A'	1107	1052	121.78	5.30	0.58	0.73
8	A'	1022	971	16.04	3.12	0.44	0.61
9	A'	954	906	5.60	4.03	0.75	0.86
10	A'	673	640	11.53	29.73	0.10	0.18
11	A'	361	343	6.95	1.76	0.42	0.59
12	A'	284	270	0.75	2.48	0.75	0.86
13	A'	234	222	1.22	0.05	0.25	0.40
14	A"	3221	3061	0.83	42.17	0.75	0.86
15	A"	3213	3054	0.01	6.90	0.75	0.86
16	A"	3086	2933	5.15	0.56	0.75	0.86
17	A"	1459	1387	0.10	25.01	0.75	0.86
18	A"	1438	1367	8.09	3.16	0.75	0.86
19	A"	1305	1240	1.16	0.08	0.75	0.86
20	A"	917	871	5.47	3.01	0.75	0.86
21	A"	887	843	2.45	0.12	0.75	0.86
22	A"	695	661	22.46	16.25	0.75	0.86
23	A"	298	283	8.77	4.15	0.75	0.86
24	A"	168	160	0.00	0.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.266	0.437	0.000
O2	-1.121	1.065	0.000
C3	0.266	-0.788	1.345
C4	0.266	-0.788	-1.345
H5	1.185	-1.395	1.324
H6	1.185	-1.395	-1.324
H7	0.207	-0.223	2.287
H8	0.207	-0.223	-2.287
H9	-0.634	-1.413	1.234
H10	-0.634	-1.413	-1.234

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5231	1.8197	1.8197	2.4400	2.4400	2.3809	2.3809	2.3989	2.3989
O2	1.5231		2.6777	2.6777	3.6227	3.6227	2.9416	2.9416	2.8106	2.8106
C3	1.8197	2.6777		2.6904	1.1011	2.8872	1.0995	3.6760	1.1011	2.8019
C4	1.8197	2.6777	2.6904		2.8872	1.1011	3.6760	1.0995	2.8019	1.1011
H5	2.4400	3.6227	1.1011	2.8872		2.6477	1.8045	3.9198	1.8209	3.1383
H6	2.4400	3.6227	2.8872	1.1011	2.6477		3.9198	1.8045	3.1383	1.8209
H7	2.3809	2.9416	1.0995	3.6760	1.8045	3.9198		4.5733	1.7972	3.8098
H8	2.3809	2.9416	3.6760	1.0995	3.9198	1.8045	4.5733		3.8098	1.7972
H9	2.3989	2.8106	1.1011	2.8019	1.8209	3.1383	1.7972	3.8098		2.4675
H10	2.3989	2.8106	2.8019	1.1011	3.1383	1.8209	3.8098	1.7972	2.4675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.905	S1	C3	H7	106.672
S1	C3	H9	107.885	S1	C4	H6	110.905
S1	C4	H8	106.672	S1	C4	H10	107.885
O2	S1	C3	106.118	O2	S1	C4	106.118
C3	S1	C4	95.329	H5	C3	H7	110.168
H5	C3	H9	111.555	H6	C4	H8	110.168
H6	C4	H10	111.555	H7	C3	H9	109.507
H8	C4	H10	109.507

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

using model chemistry: MP2=FULL/cc-pVDZ

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-pVDZ

States and conformations

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