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	hartrees
Energy at 0K	-553.186547
Energy at 298.15K	-553.193498
HF Energy	-553.186547
Nuclear repulsion energy	184.361690

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'	3182	3039	1.47	93.59	0.70	0.82
2	A'	3175	3033	4.77	87.45	0.73	0.84
3	A'	3071	2933	5.00	272.14	0.00	0.00
4	A'	1482	1415	18.28	1.44	0.75	0.85
5	A'	1457	1392	4.36	11.37	0.71	0.83
6	A'	1337	1277	10.53	2.92	0.07	0.13
7	A'	1118	1068	128.99	7.39	0.56	0.72
8	A'	1031	984	16.26	1.18	0.45	0.62
9	A'	964	920	6.42	2.62	0.73	0.84
10	A'	680	649	7.03	28.98	0.11	0.19
11	A'	374	357	7.84	1.60	0.45	0.62
12	A'	288	275	0.57	2.44	0.73	0.84
13	A'	234	224	0.63	0.08	0.43	0.60
14	A"	3181	3038	0.46	35.81	0.75	0.86
15	A"	3172	3030	0.00	7.78	0.75	0.86
16	A"	3070	2932	2.20	0.25	0.75	0.86
17	A"	1463	1397	0.05	12.75	0.75	0.86
18	A"	1443	1378	8.48	1.32	0.75	0.86
19	A"	1315	1256	1.36	0.21	0.75	0.86
20	A"	936	894	7.04	1.70	0.75	0.86
21	A"	897	857	3.56	0.03	0.75	0.86
22	A"	705	673	15.53	14.46	0.75	0.86
23	A"	320	305	10.63	3.50	0.75	0.86
24	A"	175	167	0.00	0.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.261	0.432	0.000
O2	-1.104	1.043	0.000
C3	0.261	-0.775	1.346
C4	0.261	-0.775	-1.346
H5	1.177	-1.363	1.322
H6	1.177	-1.363	-1.322
H7	0.201	-0.210	2.272
H8	0.201	-0.210	-2.272
H9	-0.621	-1.403	1.233
H10	-0.621	-1.403	-1.233

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.4956	1.8077	1.8077	2.4099	2.4099	2.3620	2.3620	2.3803	2.3803
O2	1.4956		2.6417	2.6417	3.5688	3.5688	2.9043	2.9043	2.7811	2.7811
C3	1.8077	2.6417		2.6910	1.0884	2.8805	1.0868	3.6619	1.0884	2.7966
C4	1.8077	2.6417	2.6910		2.8805	1.0884	3.6619	1.0868	2.7966	1.0884
H5	2.4099	3.5688	1.0884	2.8805		2.6431	1.7847	3.8982	1.8001	3.1239
H6	2.4099	3.5688	2.8805	1.0884	2.6431		3.8982	1.7847	3.1239	1.8001
H7	2.3620	2.9043	1.0868	3.6619	1.7847	3.8982		4.5442	1.7823	3.7925
H8	2.3620	2.9043	3.6619	1.0868	3.8982	1.7847	4.5442		3.7925	1.7823
H9	2.3803	2.7811	1.0884	2.7966	1.8001	3.1239	1.7823	3.7925		2.4661
H10	2.3803	2.7811	2.7966	1.0884	3.1239	1.8001	3.7925	1.7823	2.4661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.146	S1	C3	H7	106.713
S1	C3	H9	107.959	S1	C4	H6	110.146
S1	C4	H8	106.713	S1	C4	H10	107.959
O2	S1	C3	105.817	O2	S1	C4	105.817
C3	S1	C4	96.202	H5	C3	H7	110.265
H5	C3	H9	111.572	H6	C4	H8	110.265
H6	C4	H10	111.572	H7	C3	H9	110.043
H8	C4	H10	110.043

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

using model chemistry: M06-2X/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	0.500
2	O	-0.562
3	C	-0.355
4	C	-0.355
5	H	0.113
6	H	0.113
7	H	0.140
8	H	0.140
9	H	0.133
10	H	0.133

	x	y	z	Total
	2.679	-3.103	0.000	4.099
CHELPG
AIM
ESP

	x	y	z
x	6.340	-0.659	0.000
y	-0.659	7.046	0.000
z	0.000	0.000	7.932

<r²>	100.904
(<r²>)^1/2	10.045

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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