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	hartrees
Energy at 0K	-548.846661
Energy at 298.15K	-548.853913
HF Energy	-548.846661
Nuclear repulsion energy	185.016673

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'	3295	2974	9.04	111.21	0.75	0.86
2	A'	3290	2970	4.82	105.07	0.72	0.84
3	A'	3208	2896	6.00	187.03	0.00	0.01
4	A'	1650	1489	34.06	3.48	0.75	0.86
5	A'	1627	1469	4.38	31.80	0.73	0.84
6	A'	1548	1397	18.53	1.28	0.73	0.84
7	A'	1179	1064	73.57	4.22	0.38	0.55
8	A'	1167	1054	44.51	6.48	0.60	0.75
9	A'	1064	960	45.74	9.50	0.72	0.83
10	A'	735	664	7.28	32.95	0.11	0.21
11	A'	401	362	12.20	1.12	0.30	0.46
12	A'	325	293	1.49	1.15	0.71	0.83
13	A'	251	227	1.16	0.07	0.64	0.78
14	A"	3292	2971	1.71	34.76	0.75	0.86
15	A"	3288	2968	0.54	13.68	0.75	0.86
16	A"	3205	2893	5.38	0.92	0.75	0.86
17	A"	1632	1473	2.22	41.40	0.75	0.86
18	A"	1613	1456	15.98	5.66	0.75	0.86
19	A"	1529	1380	11.15	1.54	0.75	0.86
20	A"	1065	961	8.48	6.63	0.75	0.86
21	A"	1023	923	3.34	0.71	0.75	0.86
22	A"	774	699	25.52	17.83	0.75	0.86
23	A"	330	298	11.63	2.90	0.75	0.86
24	A"	204	184	0.00	0.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.253	0.413	0.000
O2	-1.071	1.097	0.000
C3	0.253	-0.778	1.337
C4	0.253	-0.778	-1.337
H5	1.158	-1.371	1.312
H6	1.158	-1.371	-1.312
H7	0.208	-0.233	2.271
H8	0.208	-0.233	-2.271
H9	-0.618	-1.419	1.269
H10	-0.618	-1.419	-1.269

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.4902	1.7907	1.7907	2.3925	2.3925	2.3618	2.3618	2.3922	2.3922
O2	1.4902		2.6563	2.6563	3.5752	3.5752	2.9264	2.9264	2.8535	2.8535
C3	1.7907	2.6563		2.6741	1.0825	2.8620	1.0822	3.6494	1.0829	2.8211
C4	1.7907	2.6563	2.6741		2.8620	1.0825	3.6494	1.0822	2.8211	1.0829
H5	2.3925	3.5752	1.0825	2.8620		2.6249	1.7652	3.8780	1.7773	3.1336
H6	2.3925	3.5752	2.8620	1.0825	2.6249		3.8780	1.7652	3.1336	1.7773
H7	2.3618	2.9264	1.0822	3.6494	1.7652	3.8780		4.5423	1.7581	3.8232
H8	2.3618	2.9264	3.6494	1.0822	3.8780	1.7652	4.5423		3.8232	1.7581
H9	2.3922	2.8535	1.0829	2.8211	1.7773	3.1336	1.7581	3.8232		2.5376
H10	2.3922	2.8535	2.8211	1.0829	3.1336	1.7773	3.8232	1.7581	2.5376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.311	S1	C3	H7	108.041
S1	C3	H9	110.266	S1	C4	H6	110.311
S1	C4	H8	108.041	S1	C4	H10	110.266
O2	S1	C3	107.770	O2	S1	C4	107.770
C3	S1	C4	96.605	H5	C3	H7	109.258
H5	C3	H9	110.326	H6	C4	H8	109.258
H6	C4	H10	110.326	H7	C3	H9	108.584
H8	C4	H10	108.584

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

using model chemistry: HF/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	0.997
2	O	-0.684
3	C	-0.880
4	C	-0.880
5	H	0.223
6	H	0.223
7	H	0.253
8	H	0.253
9	H	0.247
10	H	0.247

	x	y	z	Total
	2.781	-3.245	0.000	4.273
CHELPG	4.028	-1.239	0.000	4.214
AIM
ESP

	x	y	z
x	4.860	-0.742	0.000
y	-0.742	5.376	0.000
z	0.000	0.000	6.073

<r²>	101.098
(<r²>)^1/2	10.055

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

using model chemistry: HF/3-21G*

States and conformations

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