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	hartrees
Energy at 0K	-553.102502
Energy at 298.15K	-553.109100
HF Energy	-553.102502
Nuclear repulsion energy	178.941702

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'	3088	3063	6.76	108.56	0.70	0.82
2	A'	3079	3054	19.33	107.69	0.75	0.86
3	A'	2983	2959	8.38	215.22	0.00	0.00
4	A'	1469	1457	16.31	2.82	0.74	0.85
5	A'	1446	1435	2.61	27.81	0.72	0.83
6	A'	1317	1307	3.73	1.08	0.36	0.53
7	A'	1055	1046	97.07	7.21	0.33	0.50
8	A'	996	988	20.47	7.86	0.66	0.79
9	A'	929	922	11.77	10.47	0.71	0.83
10	A'	571	567	13.13	25.64	0.12	0.21
11	A'	343	340	5.55	2.09	0.26	0.42
12	A'	269	267	0.53	1.99	0.70	0.83
13	A'	213	211	0.41	0.07	0.47	0.64
14	A"	3087	3062	5.34	39.26	0.75	0.86
15	A"	3075	3050	0.23	9.35	0.75	0.86
16	A"	2981	2957	5.45	0.24	0.75	0.86
17	A"	1452	1440	0.29	33.99	0.75	0.86
18	A"	1434	1423	7.72	4.03	0.75	0.86
19	A"	1293	1283	0.01	1.78	0.75	0.86
20	A"	904	896	4.46	7.06	0.75	0.86
21	A"	868	861	1.75	1.39	0.75	0.86
22	A"	598	593	22.58	15.50	0.75	0.86
23	A"	278	276	4.91	4.02	0.75	0.86
24	A"	168	166	0.00	0.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.260	0.441	0.000
O2	-1.102	1.138	0.000
C3	0.260	-0.823	1.383
C4	0.260	-0.823	-1.383
H5	1.187	-1.416	1.344
H6	1.187	-1.416	-1.344
H7	0.214	-0.259	2.326
H8	0.214	-0.259	-2.326
H9	-0.628	-1.468	1.291
H10	-0.628	-1.468	-1.291

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5296	1.8740	1.8740	2.4730	2.4730	2.4296	2.4296	2.4702	2.4702
O2	1.5296		2.7593	2.7593	3.6837	3.6837	3.0157	3.0157	2.9472	2.9472
C3	1.8740	2.7593		2.7666	1.1017	2.9408	1.0997	3.7524	1.1010	2.8910
C4	1.8740	2.7593	2.7666		2.9408	1.1017	3.7524	1.0997	2.8910	1.1010
H5	2.4730	3.6837	1.1017	2.9408		2.6873	1.8033	3.9691	1.8164	3.2000
H6	2.4730	3.6837	2.9408	1.1017	2.6873		3.9691	1.8033	3.2000	1.8164
H7	2.4296	3.0157	1.0997	3.7524	1.8033	3.9691		4.6523	1.8005	3.9062
H8	2.4296	3.0157	3.7524	1.0997	3.9691	1.8033	4.6523		3.9062	1.8005
H9	2.4702	2.9472	1.1010	2.8910	1.8164	3.2000	1.8005	3.9062		2.5829
H10	2.4702	2.9472	2.8910	1.1010	3.2000	1.8164	3.9062	1.8005	2.5829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.674	S1	C3	H7	106.665
S1	C3	H9	109.503	S1	C4	H6	109.674
S1	C4	H8	106.665	S1	C4	H10	109.503
O2	S1	C3	107.897	O2	S1	C4	107.897
C3	S1	C4	95.147	H5	C3	H7	109.999
H5	C3	H9	111.099	H6	C4	H8	109.999
H6	C4	H10	111.099	H7	C3	H9	109.799
H8	C4	H10	109.799

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

using model chemistry: BLYP/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	0.694
2	O	-0.573
3	C	-0.578
4	C	-0.578
5	H	0.158
6	H	0.158
7	H	0.181
8	H	0.181
9	H	0.178
10	H	0.178

	x	y	z	Total
	2.239	-2.918	0.000	3.678
CHELPG
AIM
ESP

	x	y	z
x	5.809	-0.948	0.000
y	-0.948	6.667	0.000
z	0.000	0.000	7.305

<r²>	106.360
(<r²>)^1/2	10.313

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

using model chemistry: BLYP/6-31G*

States and conformations

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