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	hartrees
Energy at 0K	-39.906099
Energy at 298.15K	-39.912748
HF Energy	-39.906099
Nuclear repulsion energy	69.381288

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'	3338	3046	6.63	85.37	0.71	0.83
2	A'	3328	3037	16.54	104.04	0.75	0.86
3	A'	3193	2914	24.22	244.01	0.00	0.01
4	A'	1603	1463	30.42	1.84	0.65	0.79
5	A'	1588	1449	5.42	23.41	0.72	0.84
6	A'	1509	1377	2.72	3.51	0.09	0.16
7	A'	1165	1063	16.18	8.61	0.58	0.73
8	A'	1120	1022	4.16	6.34	0.75	0.86
9	A'	711	649	2.44	50.16	0.25	0.41
10	A'	634	579	10.24	30.58	0.10	0.18
11	A'	297	271	5.06	2.91	0.57	0.72
12	A'	252	230	5.67	3.74	0.73	0.85
13	A'	181	165	0.94	0.03	0.72	0.84
14	A"	3337	3045	2.50	38.69	0.75	0.86
15	A"	3326	3035	0.13	17.14	0.75	0.86
16	A"	3192	2912	19.41	1.70	0.75	0.86
17	A"	1591	1452	0.86	27.38	0.75	0.86
18	A"	1577	1439	12.08	2.07	0.75	0.86
19	A"	1483	1353	2.20	0.27	0.75	0.86
20	A"	1082	987	0.21	9.85	0.75	0.86
21	A"	1040	949	0.53	0.72	0.75	0.86
22	A"	758	692	0.87	32.63	0.75	0.86
23	A"	252	230	14.37	6.68	0.75	0.86
24	A"	150	137	0.29	0.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.318	0.434	0.000
O2	-1.341	0.972	0.000
C3	0.318	-0.751	1.433
C4	0.318	-0.751	-1.433
H5	1.242	-1.311	1.447
H6	1.242	-1.311	-1.447
H7	0.222	-0.149	2.323
H8	0.222	-0.149	-2.323
H9	-0.544	-1.394	1.325
H10	-0.544	-1.394	-1.325

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.7442	1.8588	1.8588	2.4480	2.4480	2.3974	2.3974	2.4160	2.4160
O2	1.7442		2.7881	2.7881	3.7393	3.7393	3.0166	3.0166	2.8267	2.8267
C3	1.8588	2.7881		2.8652	1.0811	3.0759	1.0792	3.8052	1.0800	2.9598
C4	1.8588	2.7881	2.8652		3.0759	1.0811	3.8052	1.0792	2.9598	1.0800
H5	2.4480	3.7393	1.0811	3.0759		2.8943	1.7773	4.0753	1.7917	3.2987
H6	2.4480	3.7393	3.0759	1.0811	2.8943		4.0753	1.7773	3.2987	1.7917
H7	2.3974	3.0166	1.0792	3.8052	1.7773	4.0753		4.6470	1.7694	3.9304
H8	2.3974	3.0166	3.8052	1.0792	4.0753	1.7773	4.6470		3.9304	1.7694
H9	2.4160	2.8267	1.0800	2.9598	1.7917	3.2987	1.7694	3.9304		2.6505
H10	2.4160	2.8267	2.9598	1.0800	3.2987	1.7917	3.9304	1.7694	2.6505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.912	S1	C3	H7	106.323
S1	C3	H9	107.618	S1	C4	H6	109.912
S1	C4	H8	106.323	S1	C4	H10	107.618
O2	S1	C3	101.350	O2	S1	C4	101.350
C3	S1	C4	100.833	H5	C3	H7	110.708
H5	C3	H9	112.009	H6	C4	H8	110.708
H6	C4	H10	112.009	H7	C3	H9	110.065
H8	C4	H10	110.065

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

using model chemistry: HF/CEP-121G

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	0.731
2	O	-0.721
3	C	-0.602
4	C	-0.602
5	H	0.175
6	H	0.175
7	H	0.216
8	H	0.216
9	H	0.206
10	H	0.206

	x	y	z	Total
	4.149	-4.068	0.000	5.810
CHELPG
AIM
ESP

	x	y	z
x	6.635	-1.149	0.000
y	-1.149	6.110	0.000
z	0.000	0.000	7.300

<r²>	90.033
(<r²>)^1/2	9.489

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

using model chemistry: HF/CEP-121G

States and conformations

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