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	hartrees
Energy at 0K	-552.203186
Energy at 298.15K	-552.210209
HF Energy	-551.553618
Nuclear repulsion energy	183.386263

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'	3259	3061	1.93	91.77	0.72	0.84
2	A'	3246	3049	6.79	94.30	0.75	0.86
3	A'	3125	2935	7.93	244.19	0.00	0.00
4	A'	1516	1424	24.15	1.76	0.67	0.80
5	A'	1497	1406	4.87	13.05	0.69	0.82
6	A'	1405	1320	9.63	5.32	0.02	0.03
7	A'	1107	1040	164.75	7.60	0.49	0.66
8	A'	1067	1002	14.15	1.67	0.74	0.85
9	A'	998	937	18.23	3.36	0.74	0.85
10	A'	697	655	8.03	31.81	0.14	0.24
11	A'	375	352	9.93	1.76	0.15	0.26
12	A'	297	279	0.64	2.56	0.75	0.86
13	A'	247	232	0.35	0.08	0.73	0.84
14	A"	3258	3060	0.57	38.15	0.75	0.86
15	A"	3243	3046	0.02	7.90	0.75	0.86
16	A"	3124	2934	4.11	0.35	0.75	0.86
17	A"	1500	1409	0.08	16.16	0.75	0.86
18	A"	1483	1393	10.99	1.85	0.75	0.86
19	A"	1382	1298	2.70	0.20	0.75	0.86
20	A"	969	910	5.67	1.48	0.75	0.86
21	A"	934	877	1.18	0.05	0.75	0.86
22	A"	728	683	18.57	19.96	0.75	0.86
23	A"	312	293	9.85	5.01	0.75	0.86
24	A"	187	175	0.01	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.262	0.424	0.000
O2	-1.109	1.079	0.000
C3	0.262	-0.783	1.343
C4	0.262	-0.783	-1.343
H5	1.173	-1.377	1.308
H6	1.173	-1.377	-1.308
H7	0.218	-0.228	2.276
H8	0.218	-0.228	-2.276
H9	-0.622	-1.411	1.250
H10	-0.622	-1.411	-1.250

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5191	1.8054	1.8054	2.4051	2.4051	2.3677	2.3677	2.3899	2.3899
O2	1.5191		2.6737	2.6737	3.5986	3.5986	2.9409	2.9409	2.8289	2.8289
C3	1.8054	2.6737		2.6856	1.0885	2.8652	1.0862	3.6610	1.0883	2.8100
C4	1.8054	2.6737	2.6856		2.8652	1.0885	3.6610	1.0862	2.8100	1.0883
H5	2.4051	3.5986	1.0885	2.8652		2.6156	1.7799	3.8824	1.7960	3.1245
H6	2.4051	3.5986	2.8652	1.0885	2.6156		3.8824	1.7799	3.1245	1.7960
H7	2.3677	2.9409	1.0862	3.6610	1.7799	3.8824		4.5513	1.7773	3.8123
H8	2.3677	2.9409	3.6610	1.0862	3.8824	1.7799	4.5513		3.8123	1.7773
H9	2.3899	2.8289	1.0883	2.8100	1.7960	3.1245	1.7773	3.8123		2.4992
H10	2.3899	2.8289	2.8100	1.0883	3.1245	1.7960	3.8123	1.7773	2.4992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.935	S1	C3	H7	107.305
S1	C3	H9	108.816	S1	C4	H6	109.935
S1	C4	H8	107.305	S1	C4	H10	108.816
O2	S1	C3	106.755	O2	S1	C4	106.755
C3	S1	C4	96.106	H5	C3	H7	109.871
H5	C3	H9	111.190	H6	C4	H8	109.871
H6	C4	H10	111.190	H7	C3	H9	109.636
H8	C4	H10	109.636

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3SOCH3 (Dimethyl sulfoxide)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

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