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	hartrees
Energy at 0K	-553.165937
Energy at 298.15K	-553.172659
HF Energy	-553.165937
Nuclear repulsion energy	181.121389

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'	3102	3102	10.02	110.32	0.71	0.83
2	A'	3094	3094	26.44	113.89	0.75	0.86
3	A'	2989	2989	13.96	257.13	0.00	0.00
4	A'	1466	1466	22.27	1.57	0.71	0.83
5	A'	1442	1442	4.54	20.31	0.69	0.82
6	A'	1322	1322	10.28	1.14	0.20	0.34
7	A'	1055	1055	118.60	6.95	0.31	0.48
8	A'	1009	1009	17.72	2.41	0.63	0.77
9	A'	942	942	14.08	5.34	0.67	0.80
10	A'	588	588	13.68	24.45	0.13	0.24
11	A'	356	356	6.72	2.93	0.42	0.59
12	A'	282	282	0.29	3.11	0.72	0.84
13	A'	225	225	0.55	0.16	0.52	0.68
14	A"	3101	3101	7.21	45.79	0.75	0.86
15	A"	3089	3089	0.07	9.84	0.75	0.86
16	A"	2986	2986	11.07	0.86	0.75	0.86
17	A"	1446	1446	0.03	24.44	0.75	0.86
18	A"	1428	1428	9.84	2.06	0.75	0.86
19	A"	1295	1295	2.14	0.49	0.75	0.86
20	A"	914	914	5.41	3.99	0.75	0.86
21	A"	880	880	1.94	0.60	0.75	0.86
22	A"	612	612	23.52	16.08	0.75	0.86
23	A"	296	296	7.14	4.67	0.75	0.86
24	A"	168	168	0.00	0.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.261	0.441	0.000
O2	-1.105	1.094	0.000
C3	0.261	-0.805	1.366
C4	0.261	-0.805	-1.366
H5	1.171	-1.413	1.323
H6	1.171	-1.413	-1.323
H7	0.229	-0.242	2.303
H8	0.229	-0.242	-2.303
H9	-0.638	-1.423	1.274
H10	-0.638	-1.423	-1.274

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5149	1.8490	1.8490	2.4532	2.4532	2.4027	2.4027	2.4304	2.4304
O2	1.5149		2.7096	2.7096	3.6364	3.6364	2.9789	2.9789	2.8600	2.8600
C3	1.8490	2.7096		2.7322	1.0954	2.9035	1.0934	3.7124	1.0949	2.8570
C4	1.8490	2.7096	2.7322		2.9035	1.0954	3.7124	1.0934	2.8570	1.0949
H5	2.4532	3.6364	1.0954	2.9035		2.6463	1.7942	3.9255	1.8096	3.1653
H6	2.4532	3.6364	2.9035	1.0954	2.6463		3.9255	1.7942	3.1653	1.8096
H7	2.4027	2.9789	1.0934	3.7124	1.7942	3.9255		4.6065	1.7900	3.8658
H8	2.4027	2.9789	3.7124	1.0934	3.9255	1.7942	4.6065		3.8658	1.7900
H9	2.4304	2.8600	1.0949	2.8570	1.8096	3.1653	1.7900	3.8658		2.5487
H10	2.4304	2.8600	2.8570	1.0949	3.1653	1.8096	3.8658	1.7900	2.5487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.210	S1	C3	H7	106.651
S1	C3	H9	108.569	S1	C4	H6	110.210
S1	C4	H8	106.651	S1	C4	H10	108.569
O2	S1	C3	106.893	O2	S1	C4	106.893
C3	S1	C4	95.264	H5	C3	H7	110.102
H5	C3	H9	111.416	H6	C4	H8	110.102
H6	C4	H10	111.416	H7	C3	H9	109.767
H8	C4	H10	109.767

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

using model chemistry: B97D3/6-311G*

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	0.653
2	O	-0.550
3	C	-0.767
4	C	-0.767
5	H	0.227
6	H	0.227
7	H	0.251
8	H	0.251
9	H	0.238
10	H	0.238

	x	y	z	Total
	2.538	-3.026	0.000	3.949
CHELPG
AIM
ESP

	x	y	z
x	6.125	-0.830	0.000
y	-0.830	7.140	0.000
z	0.000	0.000	7.771

<r²>	104.309
(<r²>)^1/2	10.213

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

using model chemistry: B97D3/6-311G*

States and conformations

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