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	hartrees
Energy at 0K	-553.203142
Energy at 298.15K	-553.209939
HF Energy	-553.203142
Nuclear repulsion energy	181.740440

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'	3172	3041	5.35	114.66	0.69	0.82
2	A'	3161	3030	16.94	110.03	0.75	0.86
3	A'	3056	2929	8.91	230.32	0.00	0.00
4	A'	1505	1443	18.46	2.59	0.74	0.85
5	A'	1481	1420	2.52	26.04	0.72	0.84
6	A'	1360	1304	5.56	0.70	0.42	0.59
7	A'	1102	1056	111.23	7.04	0.40	0.57
8	A'	1031	989	20.91	6.86	0.63	0.77
9	A'	964	924	11.15	8.58	0.73	0.84
10	A'	632	606	9.88	26.69	0.12	0.21
11	A'	353	338	7.00	1.51	0.28	0.43
12	A'	276	265	0.54	1.72	0.71	0.83
13	A'	227	217	0.44	0.07	0.53	0.70
14	A"	3171	3040	4.35	40.89	0.75	0.86
15	A"	3158	3027	0.13	8.54	0.75	0.86
16	A"	3054	2928	5.79	0.16	0.75	0.86
17	A"	1486	1424	0.36	31.48	0.75	0.86
18	A"	1468	1407	8.53	3.83	0.75	0.86
19	A"	1335	1280	0.29	1.38	0.75	0.86
20	A"	934	896	5.64	6.37	0.75	0.86
21	A"	893	856	1.91	0.95	0.75	0.86
22	A"	660	632	20.06	15.74	0.75	0.86
23	A"	290	278	6.50	3.54	0.75	0.86
24	A"	177	169	0.00	0.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.258	0.432	0.000
O2	-1.094	1.113	0.000
C3	0.258	-0.804	1.357
C4	0.258	-0.804	-1.357
H5	1.176	-1.395	1.318
H6	1.176	-1.395	-1.318
H7	0.214	-0.246	2.295
H8	0.214	-0.246	-2.295
H9	-0.625	-1.443	1.267
H10	-0.625	-1.443	-1.267

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5135	1.8358	1.8358	2.4333	2.4333	2.3931	2.3931	2.4286	2.4286
O2	1.5135		2.7103	2.7103	3.6312	3.6312	2.9707	2.9707	2.8912	2.8912
C3	1.8358	2.7103		2.7150	1.0933	2.8902	1.0914	3.6947	1.0930	2.8418
C4	1.8358	2.7103	2.7150		2.8902	1.0933	3.6947	1.0914	2.8418	1.0930
H5	2.4333	3.6312	1.0933	2.8902		2.6364	1.7886	3.9113	1.8026	3.1514
H6	2.4333	3.6312	2.8902	1.0933	2.6364		3.9113	1.7886	3.1514	1.8026
H7	2.3931	2.9707	1.0914	3.6947	1.7886	3.9113		4.5892	1.7862	3.8499
H8	2.3931	2.9707	3.6947	1.0914	3.9113	1.7886	4.5892		3.8499	1.7862
H9	2.4286	2.8912	1.0930	2.8418	1.8026	3.1514	1.7862	3.8499		2.5345
H10	2.4286	2.8912	2.8418	1.0930	3.1514	1.8026	3.8499	1.7862	2.5345

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.729	S1	C3	H7	106.913
S1	C3	H9	109.403	S1	C4	H6	109.729
S1	C4	H8	106.913	S1	C4	H10	109.403
O2	S1	C3	107.649	O2	S1	C4	107.649
C3	S1	C4	95.368	H5	C3	H7	109.913
H5	C3	H9	111.074	H6	C4	H8	109.913
H6	C4	H10	111.074	H7	C3	H9	109.717
H8	C4	H10	109.717

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

using model chemistry: TPSSh/6-31G**

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	0.744
2	O	-0.622
3	C	-0.555
4	C	-0.555
5	H	0.149
6	H	0.149
7	H	0.175
8	H	0.175
9	H	0.170
10	H	0.170

	x	y	z	Total
	2.354	-3.081	0.000	3.877
CHELPG
AIM
ESP

	x	y	z
x	5.739	-0.873	0.000
y	-0.873	6.448	0.000
z	0.000	0.000	7.083

<r²>	103.380
(<r²>)^1/2	10.168

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

using model chemistry: TPSSh/6-31G**

States and conformations

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