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	hartrees
Energy at 0K	-553.232249
Energy at 298.15K	-553.239224
HF Energy	-553.232249
Nuclear repulsion energy	184.120765

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'	3173	3035	2.52	89.85	0.70	0.82
2	A'	3163	3026	8.66	88.05	0.75	0.85
3	A'	3059	2926	6.90	316.42	0.00	0.00
4	A'	1484	1420	18.65	0.74	0.71	0.83
5	A'	1461	1397	4.94	7.85	0.70	0.82
6	A'	1347	1289	11.09	2.84	0.06	0.11
7	A'	1124	1076	149.60	12.06	0.39	0.56
8	A'	1035	990	17.27	0.47	0.70	0.82
9	A'	967	925	6.42	1.04	0.67	0.80
10	A'	665	636	7.34	29.12	0.11	0.21
11	A'	378	362	7.34	1.69	0.21	0.34
12	A'	292	279	0.41	2.75	0.71	0.83
13	A'	234	224	0.38	0.07	0.61	0.76
14	A"	3172	3034	1.21	34.04	0.75	0.86
15	A"	3160	3023	0.05	9.60	0.75	0.86
16	A"	3058	2925	3.46	0.95	0.75	0.86
17	A"	1464	1400	0.04	8.14	0.75	0.86
18	A"	1447	1385	9.72	0.70	0.75	0.86
19	A"	1326	1269	2.04	0.72	0.75	0.86
20	A"	940	899	7.68	0.49	0.75	0.86
21	A"	902	862	2.38	0.16	0.75	0.86
22	A"	692	662	14.07	14.09	0.75	0.86
23	A"	326	312	9.11	3.50	0.75	0.86
24	A"	183	175	0.00	0.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.258	0.426	0.000
O2	-1.093	1.063	0.000
C3	0.258	-0.778	1.351
C4	0.258	-0.778	-1.351
H5	1.174	-1.366	1.320
H6	1.174	-1.366	-1.320
H7	0.210	-0.211	2.277
H8	0.210	-0.211	-2.277
H9	-0.622	-1.412	1.255
H10	-0.622	-1.412	-1.255

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.4932	1.8099	1.8099	2.4069	2.4069	2.3651	2.3651	2.3933	2.3933
O2	1.4932		2.6530	2.6530	3.5748	3.5748	2.9164	2.9164	2.8141	2.8141
C3	1.8099	2.6530		2.7025	1.0889	2.8846	1.0870	3.6729	1.0887	2.8231
C4	1.8099	2.6530	2.7025		2.8846	1.0889	3.6729	1.0870	2.8231	1.0887
H5	2.4069	3.5748	1.0889	2.8846		2.6403	1.7830	3.8993	1.7981	3.1403
H6	2.4069	3.5748	2.8846	1.0889	2.6403		3.8993	1.7830	3.1403	1.7981
H7	2.3651	2.9164	1.0870	3.6729	1.7830	3.8993		4.5545	1.7831	3.8228
H8	2.3651	2.9164	3.6729	1.0870	3.8993	1.7830	4.5545		3.8228	1.7831
H9	2.3933	2.8141	1.0887	2.8231	1.7981	3.1403	1.7831	3.8228		2.5105
H10	2.3933	2.8141	2.8231	1.0887	3.1403	1.7981	3.8228	1.7831	2.5105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.743	S1	C3	H7	106.783
S1	C3	H9	108.744	S1	C4	H6	109.743
S1	C4	H8	106.783	S1	C4	H10	108.744
O2	S1	C3	106.477	O2	S1	C4	106.477
C3	S1	C4	96.587	H5	C3	H7	110.058
H5	C3	H9	111.320	H6	C4	H8	110.058
H6	C4	H10	111.320	H7	C3	H9	110.078
H8	C4	H10	110.078

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

using model chemistry: wB97X-D/aug-cc-pVTZ

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	0.866
2	O	-0.903
3	C	-0.753
4	C	-0.753
5	H	0.299
6	H	0.299
7	H	0.216
8	H	0.216
9	H	0.257
10	H	0.257

	x	y	z	Total
	2.593	-3.280	0.000	4.181
CHELPG
AIM
ESP

	x	y	z
x	7.187	-0.659	0.000
y	-0.659	7.812	0.000
z	0.000	0.000	8.505

<r²>	101.335
(<r²>)^1/2	10.067

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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