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	hartrees
Energy at 0K	-553.224763
Energy at 298.15K	-553.231447
HF Energy	-553.224763
Nuclear repulsion energy	181.225921

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'	3065	3048	4.56	91.54	0.71	0.83
2	A'	3056	3039	12.69	97.49	0.75	0.86
3	A'	2963	2947	8.52	315.79	0.00	0.00
4	A'	1442	1434	15.88	0.87	0.72	0.84
5	A'	1421	1413	3.93	9.25	0.70	0.82
6	A'	1289	1282	7.27	4.04	0.04	0.08
7	A'	1054	1048	129.89	16.51	0.38	0.55
8	A'	986	980	13.07	0.44	0.42	0.59
9	A'	918	913	9.50	1.28	0.72	0.84
10	A'	577	573	11.32	28.91	0.15	0.26
11	A'	355	353	5.13	3.05	0.21	0.35
12	A'	271	269	0.20	4.19	0.71	0.83
13	A'	214	212	0.23	0.12	0.64	0.78
14	A"	3064	3047	1.84	41.80	0.75	0.86
15	A"	3051	3034	0.22	12.21	0.75	0.86
16	A"	2960	2944	5.11	2.30	0.75	0.86
17	A"	1425	1417	0.00	9.64	0.75	0.86
18	A"	1408	1401	7.91	0.62	0.75	0.86
19	A"	1268	1261	0.52	0.74	0.75	0.86
20	A"	891	886	6.54	0.42	0.75	0.86
21	A"	859	854	1.59	0.19	0.75	0.86
22	A"	603	600	19.65	16.92	0.75	0.86
23	A"	303	301	5.99	5.07	0.75	0.86
24	A"	174	173	0.00	0.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.259	0.435	0.000
O2	-1.098	1.092	0.000
C3	0.259	-0.800	1.378
C4	0.259	-0.800	-1.378
H5	1.185	-1.384	1.344
H6	1.185	-1.384	-1.344
H7	0.210	-0.225	2.306
H8	0.210	-0.225	-2.306
H9	-0.623	-1.442	1.282
H10	-0.623	-1.442	-1.282

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5077	1.8503	1.8503	2.4445	2.4445	2.3995	2.3995	2.4384	2.4384
O2	1.5077		2.7056	2.7056	3.6268	3.6268	2.9610	2.9610	2.8798	2.8798
C3	1.8503	2.7056		2.7554	1.0955	2.9341	1.0933	3.7290	1.0948	2.8750
C4	1.8503	2.7056	2.7554		2.9341	1.0955	3.7290	1.0933	2.8750	1.0948
H5	2.4445	3.6268	1.0955	2.9341		2.6889	1.7941	3.9525	1.8096	3.1892
H6	2.4445	3.6268	2.9341	1.0955	2.6889		3.9525	1.7941	3.1892	1.8096
H7	2.3995	2.9610	1.0933	3.7290	1.7941	3.9525		4.6128	1.7956	3.8801
H8	2.3995	2.9610	3.7290	1.0933	3.9525	1.7941	4.6128		3.8801	1.7956
H9	2.4384	2.8798	1.0948	2.8750	1.8096	3.1892	1.7956	3.8801		2.5648
H10	2.4384	2.8798	2.8750	1.0948	3.1892	1.8096	3.8801	1.7956	2.5648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.481	S1	C3	H7	106.346
S1	C3	H9	109.068	S1	C4	H6	109.481
S1	C4	H8	106.346	S1	C4	H10	109.068
O2	S1	C3	106.915	O2	S1	C4	106.915
C3	S1	C4	96.245	H5	C3	H7	110.099
H5	C3	H9	111.421	H6	C4	H8	110.099
H6	C4	H10	111.421	H7	C3	H9	110.288
H8	C4	H10	110.288

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

using model chemistry: BLYP/6-311+G(3df,2p)

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	0.096
2	O	-0.417
3	C	-0.388
4	C	-0.388
5	H	0.181
6	H	0.181
7	H	0.178
8	H	0.178
9	H	0.189
10	H	0.189

	x	y	z	Total
	2.392	-3.032	0.000	3.862
CHELPG
AIM
ESP

<r²>	104.726
(<r²>)^1/2	10.234

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

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

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