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	hartrees
Energy at 0K	-553.142686
Energy at 298.15K	-553.149628
HF Energy	-553.142686
Nuclear repulsion energy	183.727762

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'	3187	3187	2.13	99.77	0.72	0.84
2	A'	3180	3180	4.22	93.70	0.72	0.84
3	A'	3075	3075	4.94	238.36	0.00	0.00
4	A'	1482	1482	27.27	1.83	0.72	0.83
5	A'	1457	1457	6.18	15.41	0.70	0.82
6	A'	1355	1355	14.48	2.59	0.04	0.09
7	A'	1089	1089	134.73	5.44	0.52	0.69
8	A'	1037	1037	20.40	2.38	0.61	0.76
9	A'	974	974	12.59	4.15	0.72	0.84
10	A'	677	677	8.70	27.68	0.13	0.23
11	A'	371	371	10.24	1.95	0.49	0.65
12	A'	291	291	0.63	2.55	0.73	0.84
13	A'	237	237	0.65	0.09	0.53	0.69
14	A"	3185	3185	0.53	38.21	0.75	0.86
15	A"	3178	3178	0.02	7.55	0.75	0.86
16	A"	3073	3073	2.41	0.16	0.75	0.86
17	A"	1463	1463	0.26	18.79	0.75	0.86
18	A"	1442	1442	11.74	2.40	0.75	0.86
19	A"	1329	1329	4.27	0.14	0.75	0.86
20	A"	943	943	7.69	3.27	0.75	0.86
21	A"	905	905	3.11	0.17	0.75	0.86
22	A"	703	703	17.87	16.87	0.75	0.86
23	A"	313	313	11.66	3.86	0.75	0.86
24	A"	173	173	0.00	0.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.263	0.434	0.000
O2	-1.108	1.047	0.000
C3	0.263	-0.779	1.349
C4	0.263	-0.779	-1.349
H5	1.169	-1.385	1.317
H6	1.169	-1.385	-1.317
H7	0.220	-0.216	2.279
H8	0.220	-0.216	-2.279
H9	-0.634	-1.391	1.249
H10	-0.634	-1.391	-1.249

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5017	1.8141	1.8141	2.4217	2.4217	2.3705	2.3705	2.3863	2.3863
O2	1.5017		2.6521	2.6521	3.5824	3.5824	2.9248	2.9248	2.7800	2.7800
C3	1.8141	2.6521		2.6972	1.0902	2.8798	1.0887	3.6716	1.0904	2.8150
C4	1.8141	2.6521	2.6972		2.8798	1.0902	3.6716	1.0887	2.8150	1.0904
H5	2.4217	3.5824	1.0902	2.8798		2.6340	1.7868	3.8987	1.8041	3.1356
H6	2.4217	3.5824	2.8798	1.0902	2.6340		3.8987	1.7868	3.1356	1.8041
H7	2.3705	2.9248	1.0887	3.6716	1.7868	3.8987		4.5586	1.7814	3.8153
H8	2.3705	2.9248	3.6716	1.0887	3.8987	1.7868	4.5586		3.8153	1.7814
H9	2.3863	2.7800	1.0904	2.8150	1.8041	3.1356	1.7814	3.8153		2.4971
H10	2.3863	2.7800	2.8150	1.0904	3.1356	1.8041	3.8153	1.7814	2.4971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.495	S1	C3	H7	106.824
S1	C3	H9	107.882	S1	C4	H6	110.495
S1	C4	H8	106.824	S1	C4	H10	107.882
O2	S1	C3	105.847	O2	S1	C4	105.847
C3	S1	C4	96.047	H5	C3	H7	110.175
H5	C3	H9	111.653	H6	C4	H8	110.175
H6	C4	H10	111.653	H7	C3	H9	109.668
H8	C4	H10	109.668

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

using model chemistry: M06-2X/6-311G**

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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Number	Element	Mulliken
1	S	0.667
2	O	-0.615
3	C	-0.556
4	C	-0.556
5	H	0.165
6	H	0.165
7	H	0.189
8	H	0.189
9	H	0.176
10	H	0.176

	x	y	z	Total
	2.906	-3.208	0.000	4.329
CHELPG
AIM
ESP

	x	y	z
x	5.896	-0.689	0.000
y	-0.689	6.625	0.000
z	0.000	0.000	7.388

<r²>	101.670
(<r²>)^1/2	10.083

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

using model chemistry: M06-2X/6-311G**

States and conformations

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