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	hartrees
Energy at 0K	-553.136237
Energy at 298.15K	-553.143188
HF Energy	-553.136237
Nuclear repulsion energy	183.092715

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'	3192	3040	2.40	103.13	0.72	0.84
2	A'	3181	3030	9.25	104.73	0.75	0.86
3	A'	3070	2924	8.26	266.24	0.00	0.00
4	A'	1489	1418	28.51	1.38	0.63	0.77
5	A'	1467	1397	5.62	14.68	0.70	0.82
6	A'	1370	1305	12.25	3.52	0.03	0.05
7	A'	1104	1051	155.70	10.26	0.48	0.64
8	A'	1044	994	18.83	1.90	0.74	0.85
9	A'	979	932	13.03	3.85	0.74	0.85
10	A'	671	639	7.21	30.85	0.15	0.27
11	A'	376	358	9.59	1.55	0.17	0.29
12	A'	296	281	0.55	2.44	0.74	0.85
13	A'	233	222	0.50	0.08	0.75	0.85
14	A"	3192	3040	1.02	42.67	0.75	0.86
15	A"	3179	3027	0.04	9.28	0.75	0.86
16	A"	3069	2923	5.66	0.37	0.75	0.86
17	A"	1470	1400	0.09	17.33	0.75	0.86
18	A"	1453	1383	13.47	1.66	0.75	0.86
19	A"	1348	1284	3.89	0.17	0.75	0.86
20	A"	951	906	6.53	1.85	0.75	0.86
21	A"	913	869	1.99	0.03	0.75	0.86
22	A"	702	669	17.22	20.06	0.75	0.86
23	A"	318	303	10.04	4.57	0.75	0.86
24	A"	178	170	0.00	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.259	0.427	0.000
O2	-1.099	1.077	0.000
C3	0.259	-0.784	1.354
C4	0.259	-0.784	-1.354
H5	1.180	-1.372	1.328
H6	1.180	-1.372	-1.328
H7	0.206	-0.220	2.287
H8	0.206	-0.220	-2.287
H9	-0.621	-1.425	1.262
H10	-0.621	-1.425	-1.262

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5061	1.8165	1.8165	2.4183	2.4183	2.3772	2.3772	2.4077	2.4077
O2	1.5061		2.6727	2.6727	3.6000	3.6000	2.9354	2.9354	2.8433	2.8433
C3	1.8165	2.6727		2.7086	1.0932	2.8965	1.0910	3.6849	1.0930	2.8340
C4	1.8165	2.6727	2.7086		2.8965	1.0932	3.6849	1.0910	2.8340	1.0930
H5	2.4183	3.6000	1.0932	2.8965		2.6563	1.7876	3.9172	1.8032	3.1554
H6	2.4183	3.6000	2.8965	1.0932	2.6563		3.9172	1.7876	3.1554	1.8032
H7	2.3772	2.9354	1.0910	3.6849	1.7876	3.9172		4.5738	1.7850	3.8381
H8	2.3772	2.9354	3.6849	1.0910	3.9172	1.7876	4.5738		3.8381	1.7850
H9	2.4077	2.8433	1.0930	2.8340	1.8032	3.1554	1.7850	3.8381		2.5241
H10	2.4077	2.8433	2.8340	1.0930	3.1554	1.8032	3.8381	1.7850	2.5241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.929	S1	C3	H7	107.036
S1	C3	H9	109.154	S1	C4	H6	109.929
S1	C4	H8	107.036	S1	C4	H10	109.154
O2	S1	C3	106.733	O2	S1	C4	106.733
C3	S1	C4	96.414	H5	C3	H7	109.856
H5	C3	H9	111.141	H6	C4	H8	109.856
H6	C4	H10	111.141	H7	C3	H9	109.631
H8	C4	H10	109.631

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

using model chemistry: wB97X-D/6-31+G**

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	0.733
2	O	-0.714
3	C	-0.605
4	C	-0.605
5	H	0.182
6	H	0.182
7	H	0.211
8	H	0.211
9	H	0.203
10	H	0.203

	x	y	z	Total
	2.897	-3.451	0.000	4.506
CHELPG
AIM
ESP

	x	y	z
x	6.681	-0.860	0.000
y	-0.860	7.172	0.000
z	0.000	0.000	7.681

<r²>	102.470
(<r²>)^1/2	10.123

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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