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	hartrees
Energy at 0K	-552.971303
Energy at 298.15K
HF Energy	-552.713775
Nuclear repulsion energy	182.845229

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'	3178	3178	6.16	104.12	0.72	0.83
2	A'	3171	3171	15.10	105.13	0.74	0.85
3	A'	3068	3068	10.29	232.14	0.00	0.00
4	A'	1510	1510	25.64	1.51	0.70	0.82
5	A'	1485	1485	4.86	19.37	0.70	0.82
6	A'	1383	1383	13.72	2.18	0.10	0.18
7	A'	1082	1082	118.89	5.84	0.39	0.56
8	A'	1050	1050	17.17	2.45	0.53	0.69
9	A'	979	979	19.14	5.12	0.66	0.80
10	A'	653	653	11.33	27.67	0.12	0.22
11	A'	368	368	8.97	2.48	0.45	0.62
12	A'	291	291	0.35	2.73	0.73	0.84
13	A'	232	232	0.61	0.12	0.54	0.70
14	A"	3177	3177	3.36	43.40	0.75	0.86
15	A"	3167	3167	0.00	8.64	0.75	0.86
16	A"	3065	3065	6.94	0.24	0.75	0.86
17	A"	1490	1490	0.09	23.98	0.75	0.86
18	A"	1470	1470	11.51	1.97	0.75	0.86
19	A"	1358	1358	4.59	0.31	0.75	0.86
20	A"	952	952	6.40	3.64	0.75	0.86
21	A"	917	917	1.83	0.46	0.75	0.86
22	A"	679	679	21.37	17.01	0.75	0.86
23	A"	308	308	9.68	4.27	0.75	0.86
24	A"	172	172	0.01	0.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.261	0.433	0.000
O2	-1.104	1.074	0.000
C3	0.261	-0.788	1.354
C4	0.261	-0.788	-1.354
H5	1.163	-1.400	1.318
H6	1.163	-1.400	-1.318
H7	0.232	-0.228	2.286
H8	0.232	-0.228	-2.286
H9	-0.637	-1.401	1.270
H10	-0.637	-1.401	-1.270

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5081	1.8228	1.8228	2.4310	2.4310	2.3797	2.3797	2.4041	2.4041
O2	1.5081		2.6766	2.6766	3.6052	3.6052	2.9503	2.9503	2.8207	2.8207
C3	1.8228	2.6766		2.7070	1.0903	2.8853	1.0885	3.6826	1.0900	2.8398
C4	1.8228	2.6766	2.7070		2.8853	1.0903	3.6826	1.0885	2.8398	1.0900
H5	2.4310	3.6052	1.0903	2.8853		2.6363	1.7829	3.9028	1.8002	3.1523
H6	2.4310	3.6052	2.8853	1.0903	2.6363		3.9028	1.7829	3.1523	1.8002
H7	2.3797	2.9503	1.0885	3.6826	1.7829	3.9028		4.5721	1.7782	3.8440
H8	2.3797	2.9503	3.6826	1.0885	3.9028	1.7829	4.5721		3.8440	1.7782
H9	2.4041	2.8207	1.0900	2.8398	1.8002	3.1523	1.7782	3.8440		2.5402
H10	2.4041	2.8207	2.8398	1.0900	3.1523	1.8002	3.8440	1.7782	2.5402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.601	S1	C3	H7	106.929
S1	C3	H9	108.625	S1	C4	H6	110.601
S1	C4	H8	106.929	S1	C4	H10	108.625
O2	S1	C3	106.560	O2	S1	C4	106.560
C3	S1	C4	95.899	H5	C3	H7	109.833
H5	C3	H9	111.315	H6	C4	H8	109.833
H6	C4	H10	111.315	H7	C3	H9	109.426
H8	C4	H10	109.426

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

States and conformations

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