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	hartrees
Energy at 0K	-552.830666
Energy at 298.15K	-552.837355
HF Energy	-552.830666
Nuclear repulsion energy	180.549922

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'	3109	3074	2.57	102.50	0.72	0.84
2	A'	3098	3062	8.56	108.62	0.75	0.86
3	A'	2987	2953	7.84	302.30	0.00	0.00
4	A'	1430	1413	26.45	1.45	0.63	0.77
5	A'	1408	1392	5.83	13.87	0.68	0.81
6	A'	1293	1278	10.79	3.14	0.04	0.08
7	A'	1051	1039	138.17	15.21	0.37	0.54
8	A'	988	977	15.11	1.46	0.47	0.64
9	A'	924	913	10.66	3.23	0.75	0.86
10	A'	608	601	11.63	27.78	0.19	0.32
11	A'	351	347	6.64	2.41	0.19	0.32
12	A'	272	269	0.31	3.77	0.73	0.84
13	A'	218	216	0.31	0.12	0.75	0.86
14	A"	3109	3073	0.69	47.50	0.75	0.86
15	A"	3095	3059	0.07	11.17	0.75	0.86
16	A"	2986	2952	5.01	1.83	0.75	0.86
17	A"	1411	1395	0.00	16.68	0.75	0.86
18	A"	1394	1378	12.90	1.25	0.75	0.86
19	A"	1269	1254	2.85	0.07	0.75	0.86
20	A"	896	885	5.91	1.26	0.75	0.86
21	A"	861	852	2.10	0.00	0.75	0.86
22	A"	635	627	22.22	20.41	0.75	0.86
23	A"	293	290	6.64	5.86	0.75	0.86
24	A"	169	167	0.00	0.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.262	0.434	0.000
O2	-1.110	1.107	0.000
C3	0.262	-0.804	1.369
C4	0.262	-0.804	-1.369
H5	1.193	-1.392	1.340
H6	1.193	-1.392	-1.340
H7	0.207	-0.235	2.309
H8	0.207	-0.235	-2.309
H9	-0.624	-1.451	1.272
H10	-0.624	-1.451	-1.272

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5278	1.8455	1.8455	2.4487	2.4487	2.4043	2.4043	2.4403	2.4403
O2	1.5278		2.7212	2.7212	3.6525	3.6525	2.9776	2.9776	2.8975	2.8975
C3	1.8455	2.7212		2.7381	1.1017	2.9240	1.0995	3.7218	1.1013	2.8596
C4	1.8455	2.7212	2.7381		2.9240	1.1017	3.7218	1.0995	2.8596	1.1013
H5	2.4487	3.6525	1.1017	2.9240		2.6793	1.8023	3.9521	1.8187	3.1816
H6	2.4487	3.6525	2.9240	1.1017	2.6793		3.9521	1.8023	3.1816	1.8187
H7	2.4043	2.9776	1.0995	3.7218	1.8023	3.9521		4.6173	1.8013	3.8716
H8	2.4043	2.9776	3.7218	1.0995	3.9521	1.8023	4.6173		3.8716	1.8013
H9	2.4403	2.8975	1.1013	2.8596	1.8187	3.1816	1.8013	3.8716		2.5436
H10	2.4403	2.8975	2.8596	1.1013	3.1816	1.8187	3.8716	1.8013	2.5436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.783	S1	C3	H7	106.692
S1	C3	H9	109.191	S1	C4	H6	109.783
S1	C4	H8	106.692	S1	C4	H10	109.191
O2	S1	C3	107.171	O2	S1	C4	107.171
C3	S1	C4	95.774	H5	C3	H7	109.922
H5	C3	H9	111.284	H6	C4	H8	109.922
H6	C4	H10	111.284	H7	C3	H9	109.858
H8	C4	H10	109.858

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

using model chemistry: PBEPBE/6-31+G**

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	0.624
2	O	-0.623
3	C	-0.624
4	C	-0.624
5	H	0.193
6	H	0.193
7	H	0.218
8	H	0.218
9	H	0.213
10	H	0.213

	x	y	z	Total
	2.630	-3.223	0.000	4.160
CHELPG
AIM
ESP

	x	y	z
x	7.192	-0.992	0.000
y	-0.992	7.966	0.000
z	0.000	0.000	8.488

<r²>	105.082
(<r²>)^1/2	10.251

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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