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	hartrees
Energy at 0K	-553.126043
Energy at 298.15K	-553.132996
HF Energy	-553.126043
Nuclear repulsion energy	183.232256

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'	3194	3194	3.19	106.35	0.70	0.82
2	A'	3184	3184	10.74	100.97	0.75	0.86
3	A'	3073	3073	6.23	209.36	0.00	0.00
4	A'	1499	1499	24.60	2.61	0.74	0.85
5	A'	1474	1474	3.61	25.27	0.73	0.84
6	A'	1374	1374	12.57	0.50	0.75	0.86
7	A'	1144	1144	125.92	7.09	0.44	0.61
8	A'	1045	1045	23.08	6.15	0.61	0.76
9	A'	983	983	9.44	7.03	0.74	0.85
10	A'	673	673	9.12	27.25	0.12	0.21
11	A'	376	376	8.67	1.21	0.29	0.44
12	A'	299	299	0.76	1.49	0.72	0.84
13	A'	236	236	0.60	0.07	0.53	0.69
14	A"	3193	3193	2.10	38.73	0.75	0.86
15	A"	3182	3182	0.04	6.95	0.75	0.86
16	A"	3072	3072	3.97	0.18	0.75	0.86
17	A"	1478	1478	0.77	30.71	0.75	0.86
18	A"	1460	1460	11.40	4.06	0.75	0.86
19	A"	1351	1351	3.74	0.90	0.75	0.86
20	A"	951	951	7.37	5.65	0.75	0.86
21	A"	910	910	2.66	0.71	0.75	0.86
22	A"	701	701	19.88	15.80	0.75	0.86
23	A"	311	311	8.27	3.16	0.75	0.86
24	A"	179	179	0.00	0.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.256	0.427	0.000
O2	-1.086	1.094	0.000
C3	0.256	-0.791	1.349
C4	0.256	-0.791	-1.349
H5	1.173	-1.384	1.316
H6	1.173	-1.384	-1.316
H7	0.211	-0.234	2.286
H8	0.211	-0.234	-2.286
H9	-0.626	-1.430	1.262
H10	-0.626	-1.430	-1.262

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.4993	1.8173	1.8173	2.4191	2.4191	2.3801	2.3801	2.4123	2.4123
O2	1.4993		2.6788	2.6788	3.6028	3.6028	2.9450	2.9450	2.8596	2.8596
C3	1.8173	2.6788		2.6981	1.0928	2.8799	1.0910	3.6778	1.0928	2.8295
C4	1.8173	2.6788	2.6981		2.8799	1.0928	3.6778	1.0910	2.8295	1.0928
H5	2.4191	3.6028	1.0928	2.8799		2.6312	1.7864	3.9015	1.8005	3.1440
H6	2.4191	3.6028	2.8799	1.0928	2.6312		3.9015	1.7864	3.1440	1.8005
H7	2.3801	2.9450	1.0910	3.6778	1.7864	3.9015		4.5722	1.7830	3.8369
H8	2.3801	2.9450	3.6778	1.0910	3.9015	1.7864	4.5722		3.8369	1.7830
H9	2.4123	2.8596	1.0928	2.8295	1.8005	3.1440	1.7830	3.8369		2.5246
H10	2.4123	2.8596	2.8295	1.0928	3.1440	1.8005	3.8369	1.7830	2.5246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.949	S1	C3	H7	107.190
S1	C3	H9	109.447	S1	C4	H6	109.949
S1	C4	H8	107.190	S1	C4	H10	109.447
O2	S1	C3	107.355	O2	S1	C4	107.355
C3	S1	C4	95.862	H5	C3	H7	109.776
H5	C3	H9	110.932	H6	C4	H8	109.776
H6	C4	H10	110.932	H7	C3	H9	109.468
H8	C4	H10	109.468

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

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

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	0.770
2	O	-0.644
3	C	-0.567
4	C	-0.567
5	H	0.151
6	H	0.151
7	H	0.180
8	H	0.180
9	H	0.172
10	H	0.172

	x	y	z	Total
	2.505	-3.173	0.000	4.043
CHELPG
AIM
ESP

<r²>	101.986
(<r²>)^1/2	10.099

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

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

States and conformations

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