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	hartrees
Energy at 0K	-164.179810
Energy at 298.15K	-164.186345
HF Energy	-163.821065
Nuclear repulsion energy	102.148635

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'	3202	3083	4.23	70.12	0.72	0.84
2	A'	3196	3078	19.31	83.21	0.72	0.84
3	A'	3052	2940	19.84	225.48	0.00	0.01
4	A'	1507	1452	27.47	3.28	0.71	0.83
5	A'	1487	1432	6.15	19.11	0.74	0.85
6	A'	1422	1370	4.47	3.44	0.10	0.18
7	A'	1074	1034	21.79	15.12	0.66	0.79
8	A'	1050	1012	14.99	10.16	0.74	0.85
9	A'	803	773	57.48	6.08	0.75	0.86
10	A'	610	588	8.21	58.98	0.10	0.18
11	A'	315	303	8.29	3.96	0.49	0.65
12	A'	252	243	1.72	4.08	0.73	0.84
13	A'	193	186	0.52	0.13	0.67	0.80
14	A"	3201	3083	2.36	38.76	0.75	0.86
15	A"	3194	3076	0.13	9.52	0.75	0.86
16	A"	3053	2940	13.43	2.60	0.75	0.86
17	A"	1494	1439	1.63	22.56	0.75	0.86
18	A"	1473	1419	11.65	4.29	0.75	0.86
19	A"	1397	1345	0.67	0.39	0.75	0.86
20	A"	1007	970	0.01	15.69	0.75	0.86
21	A"	965	929	1.45	0.75	0.75	0.86
22	A"	657	633	10.16	34.45	0.75	0.86
23	A"	275	265	14.44	6.30	0.75	0.86
24	A"	121	116	0.01	0.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.307	0.461	0.000
O2	-1.291	1.001	0.000
C3	0.307	-0.785	1.427
C4	0.307	-0.785	-1.427
H5	1.258	-1.338	1.458
H6	1.258	-1.338	-1.458
H7	0.165	-0.192	2.341
H8	0.165	-0.192	-2.341
H9	-0.554	-1.451	1.271
H10	-0.554	-1.451	-1.271

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.6874	1.8943	1.8943	2.5028	2.5028	2.4347	2.4347	2.4522	2.4522
O2	1.6874		2.7898	2.7898	3.7545	3.7545	3.0047	3.0047	2.8595	2.8595
C3	1.8943	2.7898		2.8545	1.1003	3.0877	1.0988	3.8176	1.0999	2.9100
C4	1.8943	2.7898	2.8545		3.0877	1.1003	3.8176	1.0988	2.9100	1.0999
H5	2.5028	3.7545	1.1003	3.0877		2.9158	1.8131	4.1160	1.8250	3.2779
H6	2.5028	3.7545	3.0877	1.1003	2.9158		4.1160	1.8131	3.2779	1.8250
H7	2.4347	3.0047	1.0988	3.8176	1.8131	4.1160		4.6827	1.8024	3.8930
H8	2.4347	3.0047	3.8176	1.0988	4.1160	1.8131	4.6827		3.8930	1.8024
H9	2.4522	2.8595	1.0999	2.9100	1.8250	3.2779	1.8024	3.8930		2.5427
H10	2.4522	2.8595	2.9100	1.0999	3.2779	1.8250	3.8930	1.8024	2.5427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.572	S1	C3	H7	105.781
S1	C3	H9	106.952	S1	C4	H6	110.572
S1	C4	H8	105.781	S1	C4	H10	106.952
O2	S1	C3	102.166	O2	S1	C4	102.166
C3	S1	C4	97.779	H5	C3	H7	111.071
H5	C3	H9	112.080	H6	C4	H8	111.071
H6	C4	H10	112.080	H7	C3	H9	110.117
H8	C4	H10	110.117

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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