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	hartrees
Energy at 0K	-545.356178
Energy at 298.15K	-545.362403
HF Energy	-545.181154
Nuclear repulsion energy	174.632787

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'	3557	3162	0.14	51.02	0.73	0.85
2	A'	3551	3156	1.20	41.99	0.73	0.84
3	A'	3357	2984	0.28	61.36	0.00	0.01
4	A'	1710	1520	5.43	2.27	0.68	0.81
5	A'	1700	1511	0.92	23.92	0.73	0.85
6	A'	1544	1372	1.09	1.15	0.71	0.83
7	A'	1104	981	15.86	8.85	0.61	0.75
8	A'	1053	936	8.21	7.52	0.74	0.85
9	A'	789	702	0.56	16.33	0.07	0.13
10	A'	513	456	86.02	31.38	0.12	0.22
11	A'	332	295	5.73	1.53	0.42	0.59
12	A'	279	248	3.28	3.85	0.46	0.63
13	A'	162	144	0.40	0.28	0.54	0.70
14	A"	3556	3161	0.03	12.38	0.75	0.86
15	A"	3551	3156	0.00	5.45	0.75	0.86
16	A"	3358	2985	0.70	1.37	0.75	0.86
17	A"	1707	1517	0.92	26.78	0.75	0.86
18	A"	1696	1508	2.46	6.61	0.75	0.86
19	A"	1522	1353	10.75	1.38	0.75	0.86
20	A"	1021	907	1.06	5.71	0.75	0.86
21	A"	999	888	0.73	0.31	0.75	0.86
22	A"	758	674	21.41	28.93	0.75	0.86
23	A"	262	233	3.65	5.36	0.75	0.86
24	A"	132	117	0.07	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.293	0.459	0.000
O2	-1.243	1.103	0.000
C3	0.293	-0.817	1.376
C4	0.293	-0.817	-1.376
H5	1.177	-1.470	1.288
H6	1.177	-1.470	-1.288
H7	0.326	-0.284	2.341
H8	0.326	-0.284	-2.341
H9	-0.628	-1.424	1.333
H10	-0.628	-1.424	-1.333

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.6652	1.8765	1.8765	2.4826	2.4826	2.4566	2.4566	2.4838	2.4838
O2	1.6652		2.8173	2.8173	3.7599	3.7599	3.1410	3.1410	2.9223	2.9223
C3	1.8765	2.8173		2.7528	1.1032	2.8828	1.1027	3.7559	1.1037	2.9252
C4	1.8765	2.8173	2.7528		2.8828	1.1032	3.7559	1.1027	2.9252	1.1037
H5	2.4826	3.7599	1.1032	2.8828		2.5769	1.8003	3.9126	1.8060	3.1830
H6	2.4826	3.7599	2.8828	1.1032	2.5769		3.9126	1.8003	3.1830	1.8060
H7	2.4566	3.1410	1.1027	3.7559	1.8003	3.9126		4.6828	1.7960	3.9635
H8	2.4566	3.1410	3.7559	1.1027	3.9126	1.8003	4.6828		3.9635	1.7960
H9	2.4838	2.9223	1.1037	2.9252	1.8060	3.1830	1.7960	3.9635		2.6659
H10	2.4838	2.9223	2.9252	1.1037	3.1830	1.8060	3.9635	1.7960	2.6659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.136	S1	C3	H7	108.276
S1	C3	H9	110.189	S1	C4	H6	110.136
S1	C4	H8	108.276	S1	C4	H10	110.189
O2	S1	C3	105.241	O2	S1	C4	105.241
C3	S1	C4	94.362	H5	C3	H7	109.396
H5	C3	H9	109.840	H6	C4	H8	109.396
H6	C4	H10	109.840	H7	C3	H9	108.971
H8	C4	H10	108.971

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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