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	hartrees
Energy at 0K	-552.659141
Energy at 298.15K	-552.666217
HF Energy	-551.650259
Nuclear repulsion energy	185.627505

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'	3209	3025	1.10	83.58	0.71	0.83
2	A'	3199	3016	4.09	80.84	0.74	0.85
3	A'	3084	2907	5.39	286.43	0.00	0.00
4	A'	1501	1415	18.33	0.80	0.70	0.82
5	A'	1477	1392	4.38	7.90	0.71	0.83
6	A'	1355	1277	13.71	4.41	0.03	0.05
7	A'	1141	1076	153.49	13.02	0.41	0.58
8	A'	1041	981	14.51	0.39	0.70	0.83
9	A'	973	917	5.58	0.81	0.72	0.84
10	A'	701	661	7.58	27.27	0.11	0.20
11	A'	380	358	6.61	1.65	0.21	0.35
12	A'	297	280	0.34	2.66	0.74	0.85
13	A'	259	244	0.31	0.07	0.52	0.69
14	A"	3208	3025	0.25	31.71	0.75	0.86
15	A"	3195	3012	0.05	8.42	0.75	0.86
16	A"	3083	2907	2.06	0.92	0.75	0.86
17	A"	1480	1395	0.03	8.46	0.75	0.86
18	A"	1461	1378	9.69	0.76	0.75	0.86
19	A"	1335	1258	3.32	0.82	0.75	0.86
20	A"	944	890	8.65	0.48	0.75	0.86
21	A"	906	854	2.92	0.30	0.75	0.86
22	A"	724	682	15.11	12.55	0.75	0.86
23	A"	326	307	8.30	3.71	0.75	0.86
24	A"	201	189	0.00	0.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.257	0.425	0.000
O2	-1.088	1.058	0.000
C3	0.257	-0.774	1.328
C4	0.257	-0.774	-1.328
H5	1.172	-1.361	1.296
H6	1.172	-1.361	-1.296
H7	0.205	-0.217	2.258
H8	0.205	-0.217	-2.258
H9	-0.622	-1.405	1.223
H10	-0.622	-1.405	-1.223

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.4868	1.7890	1.7890	2.3887	2.3887	2.3483	2.3483	2.3702	2.3702
O2	1.4868		2.6322	2.6322	3.5551	3.5551	2.8980	2.8980	2.7892	2.7892
C3	1.7890	2.6322		2.6558	1.0874	2.8404	1.0853	3.6294	1.0874	2.7709
C4	1.7890	2.6322	2.6558		2.8404	1.0874	3.6294	1.0853	2.7709	1.0874
H5	2.3887	3.5551	1.0874	2.8404		2.5925	1.7798	3.8570	1.7962	3.0931
H6	2.3887	3.5551	2.8404	1.0874	2.5925		3.8570	1.7798	3.0931	1.7962
H7	2.3483	2.8980	1.0853	3.6294	1.7798	3.8570		4.5164	1.7797	3.7701
H8	2.3483	2.8980	3.6294	1.0853	3.8570	1.7798	4.5164		3.7701	1.7797
H9	2.3702	2.7892	1.0874	2.7709	1.7962	3.0931	1.7797	3.7701		2.4458
H10	2.3702	2.7892	2.7709	1.0874	3.0931	1.7962	3.7701	1.7797	2.4458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.880	S1	C3	H7	107.011
S1	C3	H9	108.501	S1	C4	H6	109.880
S1	C4	H8	107.011	S1	C4	H10	108.501
O2	S1	C3	106.576	O2	S1	C4	106.576
C3	S1	C4	95.849	H5	C3	H7	109.998
H5	C3	H9	111.356	H6	C4	H8	109.998
H6	C4	H10	111.356	H7	C3	H9	109.986
H8	C4	H10	109.986

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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