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	hartrees
Energy at 0K	-550.369534
Energy at 298.15K	-550.376515
HF Energy	-550.369534
Nuclear repulsion energy	182.973716

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	3015	2.63	98.14	0.74	0.85
2	A'	3176	3008	3.06	90.47	0.71	0.83
3	A'	3084	2922	3.30	179.78	0.00	0.01
4	A'	1547	1466	34.13	3.26	0.75	0.85
5	A'	1521	1441	5.09	29.87	0.72	0.84
6	A'	1422	1347	20.56	1.37	0.67	0.80
7	A'	1128	1068	89.04	5.29	0.42	0.59
8	A'	1071	1015	30.46	7.44	0.64	0.78
9	A'	997	944	16.69	8.97	0.73	0.84
10	A'	674	638	12.11	26.12	0.11	0.20
11	A'	374	355	8.11	1.20	0.35	0.52
12	A'	306	290	1.12	1.41	0.75	0.86
13	A'	239	226	0.88	0.14	0.59	0.74
14	A"	3180	3012	0.77	26.61	0.75	0.86
15	A"	3174	3006	0.13	10.80	0.75	0.86
16	A"	3083	2920	1.79	0.17	0.75	0.86
17	A"	1528	1448	1.50	39.19	0.75	0.86
18	A"	1505	1426	16.70	4.91	0.75	0.86
19	A"	1400	1326	10.91	2.02	0.75	0.86
20	A"	974	923	6.03	6.81	0.75	0.86
21	A"	939	889	5.41	0.61	0.75	0.86
22	A"	701	664	27.34	14.65	0.75	0.86
23	A"	295	279	6.35	3.30	0.75	0.86
24	A"	185	175	0.01	0.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.255	0.430	0.000
O2	-1.083	1.122	0.000
C3	0.255	-0.803	1.333
C4	0.255	-0.803	-1.333
H5	1.169	-1.402	1.287
H6	1.169	-1.402	-1.287
H7	0.215	-0.268	2.284
H8	0.215	-0.268	-2.284
H9	-0.629	-1.442	1.244
H10	-0.629	-1.442	-1.244

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5066	1.8162	1.8162	2.4187	2.4187	2.3889	2.3889	2.4155	2.4155
O2	1.5066		2.6974	2.6974	3.6196	3.6196	2.9722	2.9722	2.8860	2.8860
C3	1.8162	2.6974		2.6655	1.0933	2.8384	1.0925	3.6566	1.0940	2.7983
C4	1.8162	2.6974	2.6655		2.8384	1.0933	3.6566	1.0925	2.7983	1.0940
H5	2.4187	3.6196	1.0933	2.8384		2.5741	1.7866	3.8667	1.7984	3.1049
H6	2.4187	3.6196	2.8384	1.0933	2.5741		3.8667	1.7866	3.1049	1.7984
H7	2.3889	2.9722	1.0925	3.6566	1.7866	3.8667		4.5684	1.7806	3.8131
H8	2.3889	2.9722	3.6566	1.0925	3.8667	1.7866	4.5684		3.8131	1.7806
H9	2.4155	2.8860	1.0940	2.7983	1.7984	3.1049	1.7806	3.8131		2.4886
H10	2.4155	2.8860	2.7983	1.0940	3.1049	1.7984	3.8131	1.7806	2.4886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.971	S1	C3	H7	107.821
S1	C3	H9	109.696	S1	C4	H6	109.971
S1	C4	H8	107.821	S1	C4	H10	109.696
O2	S1	C3	108.181	O2	S1	C4	108.181
C3	S1	C4	94.418	H5	C3	H7	109.639
H5	C3	H9	110.612	H6	C4	H8	109.639
H6	C4	H10	110.612	H7	C3	H9	109.048
H8	C4	H10	109.048

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	S	0.823
2	O	-0.558
3	C	-0.828
4	C	-0.828
5	H	0.216
6	H	0.216
7	H	0.243
8	H	0.243
9	H	0.236
10	H	0.236

	x	y	z	Total
	2.380	-2.940	0.000	3.782
CHELPG
AIM
ESP

	x	y	z
x	5.074	-0.825	0.000
y	-0.825	5.726	0.000
z	0.000	0.000	6.333

<r²>	102.391
(<r²>)^1/2	10.119

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

using model chemistry: M06-2X/3-21G*

States and conformations

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