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	hartrees
Energy at 0K	-552.948338
Energy at 298.15K	-552.955235
HF Energy	-552.948338
Nuclear repulsion energy	183.469221

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'	3174	3048	3.55	104.54	0.71	0.83
2	A'	3166	3041	9.32	103.45	0.74	0.85
3	A'	3057	2936	7.38	260.08	0.00	0.00
4	A'	1470	1412	26.09	1.95	0.72	0.84
5	A'	1447	1389	6.09	17.49	0.69	0.82
6	A'	1343	1290	14.91	1.29	0.14	0.24
7	A'	1099	1055	134.33	6.24	0.43	0.60
8	A'	1028	988	18.25	2.03	0.57	0.72
9	A'	965	927	10.96	3.74	0.71	0.83
10	A'	662	635	9.71	22.99	0.13	0.23
11	A'	366	351	8.57	2.13	0.48	0.64
12	A'	286	275	0.40	2.56	0.71	0.83
13	A'	231	222	0.56	0.12	0.54	0.70
14	A"	3172	3047	1.34	43.37	0.75	0.86
15	A"	3163	3037	0.01	9.03	0.75	0.86
16	A"	3056	2935	4.03	0.44	0.75	0.86
17	A"	1451	1393	0.10	21.25	0.75	0.86
18	A"	1431	1375	12.02	2.21	0.75	0.86
19	A"	1318	1266	5.07	0.36	0.75	0.86
20	A"	932	896	8.70	3.22	0.75	0.86
21	A"	892	857	2.35	0.44	0.75	0.86
22	A"	688	661	19.89	14.40	0.75	0.86
23	A"	312	299	10.00	3.79	0.75	0.86
24	A"	175	168	0.01	0.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.260	0.429	0.000
O2	-1.098	1.071	0.000
C3	0.260	-0.784	1.350
C4	0.260	-0.784	-1.350
H5	1.168	-1.389	1.317
H6	1.168	-1.389	-1.317
H7	0.225	-0.218	2.282
H8	0.225	-0.218	-2.282
H9	-0.636	-1.402	1.264
H10	-0.636	-1.402	-1.264

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5014	1.8148	1.8148	2.4213	2.4213	2.3716	2.3716	2.3982	2.3982
O2	1.5014		2.6653	2.6653	3.5938	3.5938	2.9350	2.9350	2.8151	2.8151
C3	1.8148	2.6653		2.7009	1.0919	2.8821	1.0902	3.6760	1.0918	2.8320
C4	1.8148	2.6653	2.7009		2.8821	1.0919	3.6760	1.0902	2.8320	1.0918
H5	2.4213	3.5938	1.0919	2.8821		2.6341	1.7863	3.9001	1.8048	3.1490
H6	2.4213	3.5938	2.8821	1.0919	2.6341		3.9001	1.7863	3.1490	1.8048
H7	2.3716	2.9350	1.0902	3.6760	1.7863	3.9001		4.5631	1.7831	3.8361
H8	2.3716	2.9350	3.6760	1.0902	3.9001	1.7863	4.5631		3.8361	1.7831
H9	2.3982	2.8151	1.0918	2.8320	1.8048	3.1490	1.7831	3.8361		2.5281
H10	2.3982	2.8151	2.8320	1.0918	3.1490	1.8048	3.8361	1.7831	2.5281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.332	S1	C3	H7	106.784
S1	C3	H9	108.632	S1	C4	H6	110.332
S1	C4	H8	106.784	S1	C4	H10	108.632
O2	S1	C3	106.595	O2	S1	C4	106.595
C3	S1	C4	96.172	H5	C3	H7	109.891
H5	C3	H9	111.470	H6	C4	H8	109.891
H6	C4	H10	111.470	H7	C3	H9	109.610
H8	C4	H10	109.610

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

using model chemistry: HSEh1PBE/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	0.626
2	O	-0.586
3	C	-0.512
4	C	-0.512
5	H	0.153
6	H	0.153
7	H	0.176
8	H	0.176
9	H	0.163
10	H	0.163

	x	y	z	Total
	2.703	-3.201	0.000	4.189
CHELPG
AIM
ESP

	x	y	z
x	5.981	-0.718	0.000
y	-0.718	6.802	0.000
z	0.000	0.000	7.476

<r²>	101.988
(<r²>)^1/2	10.099

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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