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	hartrees
Energy at 0K	-552.454589
Energy at 298.15K	-552.461553
HF Energy	-551.653632
Nuclear repulsion energy	184.174913

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'	3195	3195	1.12	83.68	0.71	0.83
2	A'	3185	3185	4.25	82.15	0.74	0.85
3	A'	3068	3068	6.15	312.54	0.00	0.00
4	A'	1495	1495	17.31	0.86	0.70	0.82
5	A'	1471	1471	4.52	7.53	0.70	0.82
6	A'	1341	1341	10.98	4.47	0.03	0.06
7	A'	1112	1112	148.53	12.33	0.34	0.50
8	A'	1036	1036	13.54	0.46	0.69	0.81
9	A'	965	965	6.35	0.75	0.70	0.83
10	A'	685	685	7.88	31.49	0.10	0.18
11	A'	369	369	6.83	1.84	0.20	0.34
12	A'	288	288	0.36	2.86	0.74	0.85
13	A'	246	246	0.33	0.08	0.55	0.71
14	A"	3194	3194	0.29	30.98	0.75	0.86
15	A"	3181	3181	0.01	8.32	0.75	0.86
16	A"	3068	3068	2.17	0.93	0.75	0.86
17	A"	1474	1474	0.05	7.77	0.75	0.86
18	A"	1456	1456	8.93	0.86	0.75	0.86
19	A"	1320	1320	1.87	0.92	0.75	0.86
20	A"	938	938	6.60	0.52	0.75	0.86
21	A"	903	903	2.23	0.32	0.75	0.86
22	A"	707	707	14.19	14.26	0.75	0.86
23	A"	316	316	8.32	3.74	0.75	0.86
24	A"	188	188	0.00	0.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.261	0.430	0.000
O2	-1.106	1.059	0.000
C3	0.261	-0.780	1.338
C4	0.261	-0.780	-1.338
H5	1.178	-1.367	1.302
H6	1.178	-1.367	-1.302
H7	0.208	-0.220	2.268
H8	0.208	-0.220	-2.268
H9	-0.621	-1.409	1.225
H10	-0.621	-1.409	-1.225

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5050	1.8042	1.8042	2.4010	2.4010	2.3600	2.3600	2.3793	2.3793
O2	1.5050		2.6538	2.6538	3.5775	3.5775	2.9168	2.9168	2.7974	2.7974
C3	1.8042	2.6538		2.6754	1.0892	2.8549	1.0872	3.6493	1.0892	2.7824
C4	1.8042	2.6538	2.6754		2.8549	1.0892	3.6493	1.0872	2.7824	1.0892
H5	2.4010	3.5775	1.0892	2.8549		2.6031	1.7862	3.8727	1.8017	3.1023
H6	2.4010	3.5775	2.8549	1.0892	2.6031		3.8727	1.7862	3.1023	1.8017
H7	2.3600	2.9168	1.0872	3.6493	1.7862	3.8727		4.5360	1.7854	3.7818
H8	2.3600	2.9168	3.6493	1.0872	3.8727	1.7862	4.5360		3.7818	1.7854
H9	2.3793	2.7974	1.0892	2.7824	1.8017	3.1023	1.7854	3.7818		2.4503
H10	2.3793	2.7974	2.7824	1.0892	3.1023	1.8017	3.7818	1.7854	2.4503

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.678	S1	C3	H7	106.779
S1	C3	H9	108.082	S1	C4	H6	109.678
S1	C4	H8	106.779	S1	C4	H10	108.082
O2	S1	C3	106.283	O2	S1	C4	106.283
C3	S1	C4	95.710	H5	C3	H7	110.308
H5	C3	H9	111.608	H6	C4	H8	110.308
H6	C4	H10	111.608	H7	C3	H9	110.241
H8	C4	H10	110.241

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

using model chemistry: MP2/daug-cc-pVTZ

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/daug-cc-pVTZ

States and conformations

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