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	hartrees
Energy at 0K	-552.240591
Energy at 298.15K	-552.247457
HF Energy	-551.580040
Nuclear repulsion energy	181.369468

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'	3196	3065	1.93	85.04	0.70	0.82
2	A'	3183	3053	6.79	86.61	0.75	0.86
3	A'	3061	2935	8.82	311.48	0.00	0.00
4	A'	1464	1404	16.80	0.73	0.67	0.80
5	A'	1439	1380	3.65	7.94	0.71	0.83
6	A'	1316	1262	7.01	5.28	0.03	0.05
7	A'	1054	1011	143.56	7.60	0.42	0.59
8	A'	1021	979	13.07	0.45	0.51	0.67
9	A'	949	910	10.35	0.96	0.74	0.85
10	A'	668	641	7.53	36.38	0.10	0.18
11	A'	353	339	7.07	1.84	0.22	0.36
12	A'	280	269	0.48	3.29	0.75	0.86
13	A'	234	224	0.39	0.08	0.58	0.74
14	A"	3195	3064	0.81	31.66	0.75	0.86
15	A"	3180	3050	0.02	9.08	0.75	0.86
16	A"	3060	2934	3.74	1.20	0.75	0.86
17	A"	1442	1383	0.00	8.61	0.75	0.86
18	A"	1425	1366	8.15	0.65	0.75	0.86
19	A"	1293	1240	0.53	1.03	0.75	0.86
20	A"	925	887	4.51	0.53	0.75	0.86
21	A"	890	853	1.71	0.28	0.75	0.86
22	A"	693	665	12.81	17.10	0.75	0.86
23	A"	304	291	8.78	4.26	0.75	0.86
24	A"	173	166	0.00	0.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.269	0.434	0.000
O2	-1.139	1.069	0.000
C3	0.269	-0.788	1.355
C4	0.269	-0.788	-1.355
H5	1.201	-1.374	1.322
H6	1.201	-1.374	-1.322
H7	0.208	-0.219	2.293
H8	0.208	-0.219	-2.293
H9	-0.619	-1.427	1.239
H10	-0.619	-1.427	-1.239

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5446	1.8245	1.8245	2.4259	2.4259	2.3847	2.3847	2.4057	2.4057
O2	1.5446		2.6955	2.6955	3.6319	3.6319	2.9546	2.9546	2.8344	2.8344
C3	1.8245	2.6955		2.7096	1.1014	2.8946	1.0990	3.6924	1.1006	2.8149
C4	1.8245	2.6955	2.7096		2.8946	1.1014	3.6924	1.0990	2.8149	1.1006
H5	2.4259	3.6319	1.1014	2.8946		2.6444	1.8062	3.9229	1.8233	3.1425
H6	2.4259	3.6319	2.8946	1.1014	2.6444		3.9229	1.8062	3.1425	1.8233
H7	2.3847	2.9546	1.0990	3.6924	1.8062	3.9229		4.5857	1.8047	3.8232
H8	2.3847	2.9546	3.6924	1.0990	3.9229	1.8062	4.5857		3.8232	1.8047
H9	2.4057	2.8344	1.1006	2.8149	1.8233	3.1425	1.8047	3.8232		2.4772
H10	2.4057	2.8344	2.8149	1.1006	3.1425	1.8233	3.8232	1.8047	2.4772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.522	S1	C3	H7	106.667
S1	C3	H9	108.095	S1	C4	H6	109.522
S1	C4	H8	106.667	S1	C4	H10	108.095
O2	S1	C3	105.976	O2	S1	C4	105.976
C3	S1	C4	95.898	H5	C3	H7	110.339
H5	C3	H9	111.795	H6	C4	H8	110.339
H6	C4	H10	111.795	H7	C3	H9	110.261
H8	C4	H10	110.261

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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