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	hartrees
Energy at 0K	-545.354320
Energy at 298.15K	-545.360540
HF Energy	-545.181120
Nuclear repulsion energy	174.595261

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'	3557	3101	0.15	51.12	0.73	0.85
2	A'	3550	3095	1.20	41.95	0.73	0.84
3	A'	3356	2926	0.28	61.39	0.00	0.01
4	A'	1710	1491	5.43	2.26	0.68	0.81
5	A'	1699	1482	0.91	23.93	0.73	0.85
6	A'	1543	1346	1.11	1.15	0.71	0.83
7	A'	1104	962	15.81	8.87	0.61	0.76
8	A'	1053	918	8.17	7.53	0.74	0.85
9	A'	789	688	0.56	16.39	0.07	0.13
10	A'	511	446	85.84	31.43	0.12	0.22
11	A'	332	289	5.69	1.53	0.42	0.59
12	A'	278	242	3.29	3.87	0.46	0.63
13	A'	162	141	0.41	0.28	0.54	0.70
14	A"	3556	3100	0.03	12.30	0.75	0.86
15	A"	3550	3095	0.00	5.53	0.75	0.86
16	A"	3357	2927	0.71	1.37	0.75	0.86
17	A"	1706	1488	0.91	26.80	0.75	0.86
18	A"	1696	1479	2.45	6.60	0.75	0.86
19	A"	1522	1327	10.87	1.37	0.75	0.86
20	A"	1020	890	1.05	5.72	0.75	0.86
21	A"	999	871	0.72	0.31	0.75	0.86
22	A"	757	660	21.27	28.99	0.75	0.86
23	A"	262	228	3.64	5.37	0.75	0.86
24	A"	131	114	0.07	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.293	0.459	0.000
O2	-1.243	1.103	0.000
C3	0.293	-0.817	1.377
C4	0.293	-0.817	-1.377
H5	1.178	-1.470	1.289
H6	1.178	-1.470	-1.289
H7	0.325	-0.284	2.342
H8	0.325	-0.284	-2.342
H9	-0.628	-1.425	1.333
H10	-0.628	-1.425	-1.333

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.6655	1.8770	1.8770	2.4829	2.4829	2.4570	2.4570	2.4841	2.4841
O2	1.6655		2.8180	2.8180	3.7607	3.7607	3.1411	3.1411	2.9233	2.9233
C3	1.8770	2.8180		2.7538	1.1033	2.8842	1.1028	3.7569	1.1038	2.9256
C4	1.8770	2.8180	2.7538		2.8842	1.1033	3.7569	1.1028	2.9256	1.1038
H5	2.4829	3.7607	1.1033	2.8842		2.5787	1.8005	3.9141	1.8062	3.1837
H6	2.4829	3.7607	2.8842	1.1033	2.5787		3.9141	1.8005	3.1837	1.8062
H7	2.4570	3.1411	1.1028	3.7569	1.8005	3.9141		4.6838	1.7962	3.9638
H8	2.4570	3.1411	3.7569	1.1028	3.9141	1.8005	4.6838		3.9638	1.7962
H9	2.4841	2.9233	1.1038	2.9256	1.8062	3.1837	1.7962	3.9638		2.6656
H10	2.4841	2.9233	2.9256	1.1038	3.1837	1.8062	3.9638	1.7962	2.6656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.121	S1	C3	H7	108.270
S1	C3	H9	110.181	S1	C4	H6	110.121
S1	C4	H8	108.270	S1	C4	H10	110.181
O2	S1	C3	105.244	O2	S1	C4	105.244
C3	S1	C4	94.375	H5	C3	H7	109.405
H5	C3	H9	109.849	H6	C4	H8	109.405
H6	C4	H10	109.849	H7	C3	H9	108.982
H8	C4	H10	108.982

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

using model chemistry: MP2/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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All results from a given calculation for CH3SOCH3 (Dimethyl sulfoxide)

using model chemistry: MP2/STO-3G

States and conformations

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