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	hartrees
Energy at 0K	-553.182313
Energy at 298.15K	-553.188888
HF Energy	-553.182313
Nuclear repulsion energy	179.271629

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'	3071	3059	6.37	108.09	0.70	0.82
2	A'	3064	3052	18.59	114.01	0.75	0.86
3	A'	2967	2955	10.46	275.54	0.00	0.00
4	A'	1438	1432	20.35	2.17	0.74	0.85
5	A'	1416	1411	5.37	19.64	0.67	0.80
6	A'	1292	1287	7.52	0.82	0.22	0.36
7	A'	1020	1016	107.42	7.25	0.27	0.43
8	A'	981	977	14.47	2.31	0.63	0.77
9	A'	913	910	15.74	5.39	0.66	0.79
10	A'	558	556	15.31	25.01	0.13	0.23
11	A'	342	341	6.54	3.64	0.42	0.59
12	A'	268	267	0.22	3.53	0.71	0.83
13	A'	206	205	0.51	0.14	0.51	0.67
14	A"	3070	3058	4.16	46.74	0.75	0.86
15	A"	3060	3048	0.18	10.78	0.75	0.86
16	A"	2964	2952	6.81	1.10	0.75	0.86
17	A"	1421	1416	0.03	23.89	0.75	0.86
18	A"	1403	1398	8.64	2.41	0.75	0.86
19	A"	1267	1262	0.92	0.41	0.75	0.86
20	A"	888	884	4.89	3.59	0.75	0.86
21	A"	856	852	1.16	0.73	0.75	0.86
22	A"	583	580	25.15	16.79	0.75	0.86
23	A"	286	285	6.54	5.16	0.75	0.86
24	A"	158	157	0.01	0.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.263	0.444	0.000
O2	-1.113	1.107	0.000
C3	0.263	-0.815	1.388
C4	0.263	-0.815	-1.388
H5	1.176	-1.422	1.344
H6	1.176	-1.422	-1.344
H7	0.235	-0.241	2.322
H8	0.235	-0.241	-2.322
H9	-0.640	-1.432	1.301
H10	-0.640	-1.432	-1.301

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5279	1.8740	1.8740	2.4744	2.4744	2.4213	2.4213	2.4548	2.4548
O2	1.5279		2.7416	2.7416	3.6670	3.6670	3.0049	3.0049	2.8922	2.8922
C3	1.8740	2.7416		2.7769	1.0978	2.9440	1.0959	3.7546	1.0972	2.9030
C4	1.8740	2.7416	2.7769		2.9440	1.0978	3.7546	1.0959	2.9030	1.0972
H5	2.4744	3.6670	1.0978	2.9440		2.6870	1.7995	3.9645	1.8162	3.2075
H6	2.4744	3.6670	2.9440	1.0978	2.6870		3.9645	1.7995	3.2075	1.8162
H7	2.4213	3.0049	1.0959	3.7546	1.7995	3.9645		4.6442	1.7960	3.9123
H8	2.4213	3.0049	3.7546	1.0959	3.9645	1.7995	4.6442		3.9123	1.7960
H9	2.4548	2.8922	1.0972	2.9030	1.8162	3.2075	1.7960	3.9123		2.6013
H10	2.4548	2.8922	2.9030	1.0972	3.2075	1.8162	3.9123	1.7960	2.6013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.975	S1	C3	H7	106.259
S1	C3	H9	108.583	S1	C4	H6	109.975
S1	C4	H8	106.259	S1	C4	H10	108.583
O2	S1	C3	106.952	O2	S1	C4	106.952
C3	S1	C4	95.615	H5	C3	H7	110.233
H5	C3	H9	111.672	H6	C4	H8	110.233
H6	C4	H10	111.672	H7	C3	H9	109.962
H8	C4	H10	109.962

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

using model chemistry: BLYP/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	0.594
2	O	-0.536
3	C	-0.452
4	C	-0.452
5	H	0.129
6	H	0.129
7	H	0.152
8	H	0.152
9	H	0.141
10	H	0.141

	x	y	z	Total
	2.530	-2.947	0.000	3.884
CHELPG
AIM
ESP

	x	y	z
x	6.300	-0.850	0.000
y	-0.850	7.436	0.000
z	0.000	0.000	8.168

<r²>	106.501
(<r²>)^1/2	10.320

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

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

States and conformations

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