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	hartrees
Energy at 0K	-549.297732
Energy at 298.15K	-549.304737
HF Energy	-548.844359
Nuclear repulsion energy	182.138631

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'	3184	3018	6.65	99.26	0.75	0.85
2	A'	3174	3009	8.85	88.60	0.71	0.83
3	A'	3081	2921	5.48	165.92	0.00	0.01
4	A'	1578	1496	25.05	3.64	0.75	0.86
5	A'	1555	1475	3.69	30.98	0.72	0.84
6	A'	1448	1373	13.40	1.91	0.47	0.64
7	A'	1154	1094	96.72	4.80	0.41	0.58
8	A'	1086	1029	25.08	8.53	0.62	0.77
9	A'	1012	959	17.20	9.17	0.73	0.84
10	A'	652	619	16.78	27.44	0.10	0.18
11	A'	378	359	6.57	1.65	0.30	0.47
12	A'	313	297	0.81	1.43	0.74	0.85
13	A'	240	228	0.76	0.21	0.61	0.76
14	A"	3180	3015	2.96	24.09	0.75	0.86
15	A"	3172	3007	0.63	12.24	0.75	0.86
16	A"	3080	2920	3.33	0.49	0.75	0.86
17	A"	1561	1480	1.41	39.64	0.75	0.86
18	A"	1542	1462	11.90	6.57	0.75	0.86
19	A"	1428	1353	6.22	2.93	0.75	0.86
20	A"	988	936	4.69	7.56	0.75	0.86
21	A"	957	907	2.89	0.88	0.75	0.86
22	A"	679	644	30.96	15.16	0.75	0.86
23	A"	299	283	4.34	4.05	0.75	0.86
24	A"	189	179	0.00	0.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.252	0.426	0.000
O2	-1.070	1.160	0.000
C3	0.252	-0.816	1.337
C4	0.252	-0.816	-1.337
H5	1.163	-1.419	1.279
H6	1.163	-1.419	-1.279
H7	0.225	-0.280	2.290
H8	0.225	-0.280	-2.290
H9	-0.636	-1.452	1.259
H10	-0.636	-1.452	-1.259

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5120	1.8244	1.8244	2.4226	2.4226	2.3964	2.3964	2.4287	2.4287
O2	1.5120		2.7270	2.7270	3.6429	3.6429	2.9990	2.9990	2.9316	2.9316
C3	1.8244	2.7270		2.6740	1.0942	2.8350	1.0938	3.6666	1.0951	2.8163
C4	1.8244	2.7270	2.6740		2.8350	1.0942	3.6666	1.0938	2.8163	1.0951
H5	2.4226	3.6429	1.0942	2.8350		2.5578	1.7888	3.8620	1.7989	3.1106
H6	2.4226	3.6429	2.8350	1.0942	2.5578		3.8620	1.7888	3.1106	1.7989
H7	2.3964	2.9990	1.0938	3.6666	1.7888	3.8620		4.5802	1.7832	3.8355
H8	2.3964	2.9990	3.6666	1.0938	3.8620	1.7888	4.5802		3.8355	1.7832
H9	2.4287	2.9316	1.0951	2.8163	1.7989	3.1106	1.7832	3.8355		2.5177
H10	2.4287	2.9316	2.8163	1.0951	3.1106	1.7989	3.8355	1.7832	2.5177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.658	S1	C3	H7	107.770
S1	C3	H9	110.069	S1	C4	H6	109.658
S1	C4	H8	107.770	S1	C4	H10	110.069
O2	S1	C3	109.285	O2	S1	C4	109.285
C3	S1	C4	94.255	H5	C3	H7	109.681
H5	C3	H9	110.504	H6	C4	H8	109.681
H6	C4	H10	110.504	H7	C3	H9	109.110
H8	C4	H10	109.110

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

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

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