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	hartrees
Energy at 0K	-549.279287
Energy at 298.15K	-549.286293
HF Energy	-548.844314
Nuclear repulsion energy	182.103612

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'	3183	3028	6.63	99.44	0.75	0.85
2	A'	3173	3019	9.02	88.71	0.71	0.83
3	A'	3081	2931	5.55	166.04	0.00	0.01
4	A'	1579	1502	25.01	3.67	0.75	0.86
5	A'	1556	1480	3.70	30.99	0.72	0.84
6	A'	1448	1378	13.31	1.92	0.46	0.63
7	A'	1154	1097	96.45	4.74	0.41	0.58
8	A'	1087	1034	24.98	8.51	0.62	0.76
9	A'	1012	963	17.44	9.16	0.73	0.84
10	A'	653	621	16.66	27.46	0.10	0.18
11	A'	378	360	6.56	1.65	0.30	0.47
12	A'	313	298	0.82	1.43	0.74	0.85
13	A'	240	228	0.75	0.20	0.61	0.76
14	A"	3180	3025	3.02	24.38	0.75	0.86
15	A"	3171	3017	0.61	12.04	0.75	0.86
16	A"	3080	2930	3.37	0.48	0.75	0.86
17	A"	1561	1485	1.41	39.64	0.75	0.86
18	A"	1542	1467	11.85	6.61	0.75	0.86
19	A"	1428	1359	6.13	2.95	0.75	0.86
20	A"	989	940	4.66	7.56	0.75	0.86
21	A"	958	912	2.89	0.87	0.75	0.86
22	A"	680	647	30.83	15.18	0.75	0.86
23	A"	299	284	4.35	4.05	0.75	0.86
24	A"	189	180	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	-1.453	1.259
H10	-0.636	-1.453	-1.259

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5125	1.8245	1.8245	2.4229	2.4229	2.3968	2.3968	2.4292	2.4292
O2	1.5125		2.7277	2.7277	3.6439	3.6439	2.9997	2.9997	2.9328	2.9328
C3	1.8245	2.7277		2.6745	1.0944	2.8356	1.0939	3.6672	1.0953	2.8170
C4	1.8245	2.7277	2.6745		2.8356	1.0944	3.6672	1.0939	2.8170	1.0953
H5	2.4229	3.6439	1.0944	2.8356		2.5586	1.7890	3.8628	1.7990	3.1113
H6	2.4229	3.6439	2.8356	1.0944	2.5586		3.8628	1.7890	3.1113	1.7990
H7	2.3968	2.9997	1.0939	3.6672	1.7890	3.8628		4.5810	1.7834	3.8363
H8	2.3968	2.9997	3.6672	1.0939	3.8628	1.7890	4.5810		3.8363	1.7834
H9	2.4292	2.9328	1.0953	2.8170	1.7990	3.1113	1.7834	3.8363		2.5185
H10	2.4292	2.9328	2.8170	1.0953	3.1113	1.7990	3.8363	1.7834	2.5185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.663	S1	C3	H7	107.781
S1	C3	H9	110.085	S1	C4	H6	109.663
S1	C4	H8	107.781	S1	C4	H10	110.085
O2	S1	C3	109.299	O2	S1	C4	109.299
C3	S1	C4	94.267	H5	C3	H7	109.673
H5	C3	H9	110.488	H6	C4	H8	109.673
H6	C4	H10	110.488	H7	C3	H9	109.102
H8	C4	H10	109.102

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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