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	hartrees
Energy at 0K	-545.192105
Energy at 298.15K	-545.198497
HF Energy	-545.192105
Nuclear repulsion energy	174.106391

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'	3765	3074	0.80	49.99	0.71	0.83
2	A'	3755	3066	0.06	51.55	0.74	0.85
3	A'	3565	2911	0.18	76.71	0.00	0.01
4	A'	1808	1476	8.79	9.13	0.75	0.86
5	A'	1803	1472	4.24	20.42	0.73	0.84
6	A'	1693	1382	2.32	1.34	0.59	0.74
7	A'	1244	1016	14.69	7.83	0.56	0.71
8	A'	1181	964	1.08	5.20	0.75	0.86
9	A'	891	728	0.20	27.05	0.13	0.23
10	A'	527	431	24.98	0.46	0.72	0.84
11	A'	335	274	1.19	1.12	0.60	0.75
12	A'	247	202	2.86	1.58	0.71	0.83
13	A'	166	135	0.67	0.22	0.68	0.81
14	A"	3763	3073	1.63	21.40	0.75	0.86
15	A"	3755	3066	0.07	4.29	0.75	0.86
16	A"	3566	2912	1.02	1.37	0.75	0.86
17	A"	1804	1473	3.42	22.95	0.75	0.86
18	A"	1799	1469	3.69	12.64	0.75	0.86
19	A"	1666	1360	15.25	1.88	0.75	0.86
20	A"	1150	939	0.43	5.77	0.75	0.86
21	A"	1119	914	0.34	0.43	0.75	0.86
22	A"	954	779	0.04	16.39	0.75	0.86
23	A"	225	184	5.03	3.25	0.75	0.86
24	A"	151	123	0.15	0.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.327	0.424	0.000
O2	-1.390	1.027	0.000
C3	0.327	-0.757	1.370
C4	0.327	-0.757	-1.370
H5	1.210	-1.388	1.333
H6	1.210	-1.388	-1.333
H7	0.332	-0.199	2.300
H8	0.332	-0.199	-2.300
H9	-0.564	-1.377	1.340
H10	-0.564	-1.377	-1.340

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8196	1.8089	1.8089	2.4169	2.4169	2.3831	2.3831	2.4150	2.4150
O2	1.8196		2.8295	2.8295	3.7905	3.7905	3.1235	3.1235	2.8731	2.8731
C3	1.8089	2.8295		2.7402	1.0859	2.9128	1.0848	3.7126	1.0859	2.9191
C4	1.8089	2.8295	2.7402		2.9128	1.0859	3.7126	1.0848	2.9191	1.0859
H5	2.4169	3.7905	1.0859	2.9128		2.6660	1.7670	3.9227	1.7735	3.2076
H6	2.4169	3.7905	2.9128	1.0859	2.6660		3.9227	1.7670	3.2076	1.7735
H7	2.3831	3.1235	1.0848	3.7126	1.7670	3.9227		4.6006	1.7642	3.9293
H8	2.3831	3.1235	3.7126	1.0848	3.9227	1.7670	4.6006		3.9293	1.7642
H9	2.4150	2.8731	1.0859	2.9191	1.7735	3.2076	1.7642	3.9293		2.6795
H10	2.4150	2.8731	2.9191	1.0859	3.2076	1.7735	3.9293	1.7642	2.6795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.727	S1	C3	H7	108.276
S1	C3	H9	110.589	S1	C4	H6	110.727
S1	C4	H8	108.276	S1	C4	H10	110.589
O2	S1	C3	102.487	O2	S1	C4	102.487
C3	S1	C4	98.478	H5	C3	H7	108.981
H5	C3	H9	109.491	H6	C4	H8	108.981
H6	C4	H10	109.491	H7	C3	H9	108.730
H8	C4	H10	108.730

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

using model chemistry: HF/STO-3G

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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Number	Element	Mulliken
1	S	0.406
2	O	-0.372
3	C	-0.269
4	C	-0.269
5	H	0.076
6	H	0.076
7	H	0.089
8	H	0.089
9	H	0.087
10	H	0.087

	x	y	z	Total
	2.715	-2.498	0.000	3.690
CHELPG
AIM
ESP

	x	y	z
x	3.032	-0.843	0.000
y	-0.843	2.988	0.000
z	0.000	0.000	3.816

<r²>	107.118
(<r²>)^1/2	10.350

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

using model chemistry: HF/STO-3G

States and conformations

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