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	hartrees
Energy at 0K	-552.185126
Energy at 298.15K	-552.192147
HF Energy	-551.546145
Nuclear repulsion energy	183.686485

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'	3264	3050	2.88	95.17	0.71	0.83
2	A'	3255	3041	8.34	89.66	0.74	0.85
3	A'	3135	2929	5.32	186.93	0.00	0.00
4	A'	1537	1436	19.45	3.17	0.74	0.85
5	A'	1514	1414	2.70	23.85	0.73	0.84
6	A'	1413	1321	8.86	0.48	0.74	0.85
7	A'	1151	1076	128.98	5.63	0.45	0.62
8	A'	1069	999	21.34	6.38	0.60	0.75
9	A'	1005	939	11.05	7.39	0.73	0.85
10	A'	701	655	10.86	26.70	0.11	0.20
11	A'	377	352	8.99	1.30	0.26	0.42
12	A'	301	281	0.80	1.47	0.75	0.85
13	A'	249	232	0.59	0.07	0.53	0.69
14	A"	3263	3049	1.71	33.83	0.75	0.86
15	A"	3252	3038	0.01	5.82	0.75	0.86
16	A"	3134	2928	2.50	0.31	0.75	0.86
17	A"	1516	1417	0.82	29.01	0.75	0.86
18	A"	1499	1400	8.68	5.01	0.75	0.86
19	A"	1389	1298	2.26	1.09	0.75	0.86
20	A"	973	909	6.47	5.62	0.75	0.86
21	A"	934	872	2.17	0.64	0.75	0.86
22	A"	730	682	21.76	15.27	0.75	0.86
23	A"	305	285	8.35	3.43	0.75	0.86
24	A"	181	169	0.00	0.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.258	0.424	0.000
O2	-1.094	1.095	0.000
C3	0.258	-0.789	1.337
C4	0.258	-0.789	-1.337
H5	1.166	-1.386	1.300
H6	1.166	-1.386	-1.300
H7	0.217	-0.239	2.273
H8	0.217	-0.239	-2.273
H9	-0.624	-1.419	1.250
H10	-0.624	-1.419	-1.250

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5094	1.8051	1.8051	2.4069	2.4069	2.3679	2.3679	2.3951	2.3951
O2	1.5094		2.6765	2.6765	3.5993	3.5993	2.9436	2.9436	2.8462	2.8462
C3	1.8051	2.6765		2.6738	1.0876	2.8525	1.0859	3.6514	1.0877	2.8047
C4	1.8051	2.6765	2.6738		2.8525	1.0876	3.6514	1.0859	2.8047	1.0877
H5	2.4069	3.5993	1.0876	2.8525		2.6006	1.7781	3.8707	1.7913	3.1159
H6	2.4069	3.5993	2.8525	1.0876	2.6006		3.8707	1.7781	3.1159	1.7913
H7	2.3679	2.9436	1.0859	3.6514	1.7781	3.8707		4.5454	1.7736	3.8088
H8	2.3679	2.9436	3.6514	1.0859	3.8707	1.7781	4.5454		3.8088	1.7736
H9	2.3951	2.8462	1.0877	2.8047	1.7913	3.1159	1.7736	3.8088		2.4995
H10	2.3951	2.8462	2.8047	1.0877	3.1159	1.7913	3.8088	1.7736	2.4995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.135	S1	C3	H7	107.358
S1	C3	H9	109.260	S1	C4	H6	110.135
S1	C4	H8	107.358	S1	C4	H10	109.260
O2	S1	C3	107.370	O2	S1	C4	107.370
C3	S1	C4	95.571	H5	C3	H7	109.780
H5	C3	H9	110.870	H6	C4	H8	109.780
H6	C4	H10	110.870	H7	C3	H9	109.365
H8	C4	H10	109.365

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

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

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

States and conformations

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