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	hartrees
Energy at 0K	-552.546248
Energy at 298.15K	-552.553256
HF Energy	-551.653601
Nuclear repulsion energy	184.862618

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'	3193	3038	1.04	83.37	0.71	0.83
2	A'	3185	3031	3.71	81.06	0.73	0.85
3	A'	3089	2939	5.86	308.54	0.00	0.00
4	A'	1506	1433	18.12	0.75	0.69	0.82
5	A'	1482	1410	4.57	7.48	0.69	0.82
6	A'	1350	1284	11.68	4.53	0.03	0.06
7	A'	1113	1059	148.17	12.44	0.36	0.53
8	A'	1040	989	14.83	0.48	0.66	0.79
9	A'	970	923	5.74	0.75	0.69	0.81
10	A'	694	660	7.69	30.06	0.10	0.18
11	A'	375	357	6.97	1.71	0.20	0.34
12	A'	292	278	0.43	2.81	0.74	0.85
13	A'	250	238	0.30	0.06	0.53	0.69
14	A"	3192	3037	0.23	30.44	0.75	0.86
15	A"	3182	3027	0.01	8.12	0.75	0.86
16	A"	3088	2938	1.95	0.95	0.75	0.86
17	A"	1483	1411	0.00	8.03	0.75	0.86
18	A"	1465	1394	9.26	0.53	0.75	0.86
19	A"	1327	1263	2.72	0.93	0.75	0.86
20	A"	941	895	6.77	0.49	0.75	0.86
21	A"	903	860	2.79	0.39	0.75	0.86
22	A"	716	681	14.10	13.57	0.75	0.86
23	A"	318	303	8.50	3.62	0.75	0.86
24	A"	180	172	0.00	0.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.262	0.430	0.000
O2	-1.107	1.049	0.000
C3	0.262	-0.776	1.331
C4	0.262	-0.776	-1.331
H5	1.175	-1.363	1.296
H6	1.175	-1.363	-1.296
H7	0.207	-0.219	2.260
H8	0.207	-0.219	-2.260
H9	-0.620	-1.399	1.215
H10	-0.620	-1.399	-1.215

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5019	1.7962	1.7962	2.3936	2.3936	2.3519	2.3519	2.3667	2.3667
O2	1.5019		2.6409	2.6409	3.5642	3.5642	2.9053	2.9053	2.7760	2.7760
C3	1.7962	2.6409		2.6621	1.0863	2.8428	1.0848	3.6345	1.0863	2.7658
C4	1.7962	2.6409	2.6621		2.8428	1.0863	3.6345	1.0848	2.7658	1.0863
H5	2.3936	3.5642	1.0863	2.8428		2.5924	1.7819	3.8591	1.7978	3.0875
H6	2.3936	3.5642	2.8428	1.0863	2.5924		3.8591	1.7819	3.0875	1.7978
H7	2.3519	2.9053	1.0848	3.6345	1.7819	3.8591		4.5201	1.7806	3.7625
H8	2.3519	2.9053	3.6345	1.0848	3.8591	1.7819	4.5201		3.7625	1.7806
H9	2.3667	2.7760	1.0863	2.7658	1.7978	3.0875	1.7806	3.7625		2.4304
H10	2.3667	2.7760	2.7658	1.0863	3.0875	1.7978	3.7625	1.7806	2.4304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.813	S1	C3	H7	106.834
S1	C3	H9	107.831	S1	C4	H6	109.813
S1	C4	H8	106.834	S1	C4	H10	107.831
O2	S1	C3	106.058	O2	S1	C4	106.058
C3	S1	C4	95.640	H5	C3	H7	110.321
H5	C3	H9	111.684	H6	C4	H8	110.321
H6	C4	H10	111.684	H7	C3	H9	110.208
H8	C4	H10	110.208

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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