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	hartrees
Energy at 0K	-552.900124
Energy at 298.15K	-552.907031
HF Energy	-552.900124
Nuclear repulsion energy	183.003966

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'	3193	3048	1.87	101.98	0.72	0.84
2	A'	3182	3038	7.13	105.09	0.75	0.86
3	A'	3070	2931	7.16	278.63	0.00	0.00
4	A'	1476	1410	27.83	1.50	0.65	0.79
5	A'	1455	1389	5.80	14.32	0.69	0.82
6	A'	1353	1292	12.46	3.10	0.04	0.07
7	A'	1098	1048	151.95	11.50	0.47	0.64
8	A'	1035	988	17.64	1.47	0.68	0.81
9	A'	970	926	11.62	3.42	0.75	0.86
10	A'	669	639	7.63	28.37	0.16	0.28
11	A'	367	350	8.46	1.72	0.18	0.30
12	A'	286	273	0.47	2.77	0.74	0.85
13	A'	231	221	0.39	0.09	0.74	0.85
14	A"	3193	3048	0.42	45.09	0.75	0.86
15	A"	3179	3035	0.04	10.18	0.75	0.86
16	A"	3068	2930	4.32	0.78	0.75	0.86
17	A"	1458	1392	0.03	17.16	0.75	0.86
18	A"	1440	1375	13.52	1.53	0.75	0.86
19	A"	1330	1270	4.20	0.08	0.75	0.86
20	A"	941	898	7.27	1.56	0.75	0.86
21	A"	901	861	2.36	0.01	0.75	0.86
22	A"	699	668	18.14	19.05	0.75	0.86
23	A"	310	296	9.22	4.81	0.75	0.86
24	A"	181	173	0.00	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.260	0.425	0.000
O2	-1.100	1.081	0.000
C3	0.260	-0.784	1.353
C4	0.260	-0.784	-1.353
H5	1.182	-1.371	1.331
H6	1.182	-1.371	-1.331
H7	0.204	-0.220	2.286
H8	0.204	-0.220	-2.286
H9	-0.620	-1.428	1.261
H10	-0.620	-1.428	-1.261

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5097	1.8151	1.8151	2.4182	2.4182	2.3754	2.3754	2.4079	2.4079
O2	1.5097		2.6759	2.6759	3.6045	3.6045	2.9353	2.9353	2.8491	2.8491
C3	1.8151	2.6759		2.7064	1.0936	2.8979	1.0916	3.6828	1.0934	2.8324
C4	1.8151	2.6759	2.7064		2.8979	1.0936	3.6828	1.0916	2.8324	1.0934
H5	2.4182	3.6045	1.0936	2.8979		2.6610	1.7874	3.9190	1.8042	3.1572
H6	2.4182	3.6045	2.8979	1.0936	2.6610		3.9190	1.7874	3.1572	1.8042
H7	2.3754	2.9353	1.0916	3.6828	1.7874	3.9190		4.5711	1.7855	3.8365
H8	2.3754	2.9353	3.6828	1.0916	3.9190	1.7874	4.5711		3.8365	1.7855
H9	2.4079	2.8491	1.0934	2.8324	1.8042	3.1572	1.7855	3.8365		2.5226
H10	2.4079	2.8491	2.8324	1.0934	3.1572	1.8042	3.8365	1.7855	2.5226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.995	S1	C3	H7	106.969
S1	C3	H9	109.241	S1	C4	H6	109.995
S1	C4	H8	106.969	S1	C4	H10	109.241
O2	S1	C3	106.831	O2	S1	C4	106.831
C3	S1	C4	96.413	H5	C3	H7	109.767
H5	C3	H9	111.169	H6	C4	H8	109.767
H6	C4	H10	111.169	H7	C3	H9	109.605
H8	C4	H10	109.605

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

using model chemistry: HSEh1PBE/6-31+G**

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	0.701
2	O	-0.690
3	C	-0.623
4	C	-0.623
5	H	0.190
6	H	0.190
7	H	0.217
8	H	0.217
9	H	0.211
10	H	0.211

	x	y	z	Total
	2.807	-3.392	0.000	4.402
CHELPG
AIM
ESP

	x	y	z
x	6.754	-0.876	0.000
y	-0.876	7.317	0.000
z	0.000	0.000	7.845

<r²>	102.586
(<r²>)^1/2	10.128

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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