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	hartrees
Energy at 0K	-552.381565
Energy at 298.15K	-552.388562
HF Energy	-551.589994
Nuclear repulsion energy	183.993541

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'	3207	3037	4.13	99.06	0.73	0.85
2	A'	3200	3031	7.14	94.80	0.73	0.84
3	A'	3085	2922	7.35	218.46	0.00	0.00
4	A'	1516	1436	28.41	1.58	0.69	0.82
5	A'	1491	1412	5.04	18.29	0.71	0.83
6	A'	1401	1327	20.16	2.77	0.08	0.15
7	A'	1126	1066	147.80	4.27	0.52	0.68
8	A'	1063	1007	19.54	2.52	0.51	0.68
9	A'	999	946	12.67	3.75	0.71	0.83
10	A'	696	659	12.16	26.90	0.12	0.21
11	A'	379	359	9.51	2.17	0.46	0.63
12	A'	302	286	0.41	2.49	0.74	0.85
13	A'	242	229	0.62	0.12	0.56	0.72
14	A"	3205	3036	1.25	39.16	0.75	0.86
15	A"	3197	3028	0.02	7.73	0.75	0.86
16	A"	3083	2920	4.39	0.14	0.75	0.86
17	A"	1495	1416	0.22	23.04	0.75	0.86
18	A"	1475	1397	13.54	2.17	0.75	0.86
19	A"	1377	1304	9.37	0.31	0.75	0.86
20	A"	964	913	8.11	3.40	0.75	0.86
21	A"	929	880	2.14	0.50	0.75	0.86
22	A"	719	681	22.30	16.27	0.75	0.86
23	A"	316	300	10.31	4.07	0.75	0.86
24	A"	167	158	0.00	0.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.260	0.429	0.000
O2	-1.099	1.067	0.000
C3	0.260	-0.781	1.339
C4	0.260	-0.781	-1.339
H5	1.160	-1.398	1.305
H6	1.160	-1.398	-1.305
H7	0.232	-0.224	2.275
H8	0.232	-0.224	-2.275
H9	-0.641	-1.391	1.256
H10	-0.641	-1.391	-1.256

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5018	1.8056	1.8056	2.4192	2.4192	2.3672	2.3672	2.3881	2.3881
O2	1.5018		2.6568	2.6568	3.5894	3.5894	2.9348	2.9348	2.7976	2.7976
C3	1.8056	2.6568		2.6788	1.0912	2.8609	1.0897	3.6575	1.0913	2.8142
C4	1.8056	2.6568	2.6788		2.8609	1.0912	3.6575	1.0897	2.8142	1.0913
H5	2.4192	3.5894	1.0912	2.8609		2.6109	1.7836	3.8810	1.8019	3.1313
H6	2.4192	3.5894	2.8609	1.0912	2.6109		3.8810	1.7836	3.1313	1.8019
H7	2.3672	2.9348	1.0897	3.6575	1.7836	3.8810		4.5503	1.7783	3.8199
H8	2.3672	2.9348	3.6575	1.0897	3.8810	1.7836	4.5503		3.8199	1.7783
H9	2.3881	2.7976	1.0913	2.8142	1.8019	3.1313	1.7783	3.8199		2.5118
H10	2.3881	2.7976	2.8142	1.0913	3.1313	1.8019	3.8199	1.7783	2.5118

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.836	S1	C3	H7	107.086
S1	C3	H9	108.525	S1	C4	H6	110.836
S1	C4	H8	107.086	S1	C4	H10	108.525
O2	S1	C3	106.532	O2	S1	C4	106.532
C3	S1	C4	95.774	H5	C3	H7	109.735
H5	C3	H9	111.305	H6	C4	H8	109.735
H6	C4	H10	111.305	H7	C3	H9	109.244
H8	C4	H10	109.244

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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