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	hartrees
Energy at 0K	-553.157177
Energy at 298.15K	-553.164064
HF Energy	-553.157177
Nuclear repulsion energy	183.398215

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'	3200	3061	2.02	103.34	0.72	0.84
2	A'	3190	3051	7.89	104.94	0.75	0.86
3	A'	3078	2944	7.38	274.74	0.00	0.00
4	A'	1479	1415	26.95	1.53	0.65	0.79
5	A'	1457	1394	5.51	14.41	0.69	0.82
6	A'	1353	1294	11.80	3.11	0.03	0.06
7	A'	1105	1057	154.20	11.42	0.48	0.65
8	A'	1032	987	17.52	1.63	0.70	0.82
9	A'	968	926	10.24	3.37	0.75	0.86
10	A'	668	639	7.54	29.01	0.16	0.28
11	A'	363	347	8.80	1.65	0.19	0.32
12	A'	281	269	0.45	2.70	0.73	0.85
13	A'	229	219	0.36	0.09	0.75	0.85
14	A"	3200	3061	0.61	43.89	0.75	0.86
15	A"	3187	3049	0.06	10.04	0.75	0.86
16	A"	3077	2943	4.55	0.64	0.75	0.86
17	A"	1461	1397	0.03	17.18	0.75	0.86
18	A"	1443	1381	12.79	1.59	0.75	0.86
19	A"	1330	1272	3.39	0.08	0.75	0.86
20	A"	939	898	7.21	1.67	0.75	0.86
21	A"	899	860	2.36	0.01	0.75	0.86
22	A"	698	667	17.75	19.30	0.75	0.86
23	A"	308	295	9.28	4.82	0.75	0.86
24	A"	180	172	0.00	0.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.259	0.426	0.000
O2	-1.098	1.079	0.000
C3	0.259	-0.784	1.349
C4	0.259	-0.784	-1.349
H5	1.180	-1.368	1.326
H6	1.180	-1.368	-1.326
H7	0.202	-0.222	2.281
H8	0.202	-0.222	-2.281
H9	-0.618	-1.426	1.255
H10	-0.618	-1.426	-1.255

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5058	1.8121	1.8121	2.4136	2.4136	2.3716	2.3716	2.4027	2.4027
O2	1.5058		2.6704	2.6704	3.5966	3.5966	2.9301	2.9301	2.8428	2.8428
C3	1.8121	2.6704		2.6983	1.0911	2.8889	1.0891	3.6734	1.0909	2.8215
C4	1.8121	2.6704	2.6983		2.8889	1.0911	3.6734	1.0891	2.8215	1.0909
H5	2.4136	3.5966	1.0911	2.8889		2.6518	1.7834	3.9085	1.7999	3.1454
H6	2.4136	3.5966	2.8889	1.0911	2.6518		3.9085	1.7834	3.1454	1.7999
H7	2.3716	2.9301	1.0891	3.6734	1.7834	3.9085		4.5613	1.7818	3.8236
H8	2.3716	2.9301	3.6734	1.0891	3.9085	1.7834	4.5613		3.8236	1.7818
H9	2.4027	2.8428	1.0909	2.8215	1.7999	3.1454	1.7818	3.8236		2.5092
H10	2.4027	2.8428	2.8215	1.0909	3.1454	1.7999	3.8236	1.7818	2.5092

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.986	S1	C3	H7	107.013
S1	C3	H9	109.187	S1	C4	H6	109.986
S1	C4	H8	107.013	S1	C4	H10	109.187
O2	S1	C3	106.832	O2	S1	C4	106.832
C3	S1	C4	96.239	H5	C3	H7	109.770
H5	C3	H9	111.155	H6	C4	H8	109.770
H6	C4	H10	111.155	H7	C3	H9	109.637
H8	C4	H10	109.637

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

using model chemistry: B1B95/6-31+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	0.694
2	O	-0.692
3	C	-0.599
4	C	-0.599
5	H	0.184
6	H	0.184
7	H	0.210
8	H	0.210
9	H	0.204
10	H	0.204

	x	y	z	Total
	2.814	-3.369	0.000	4.389
CHELPG
AIM
ESP

	x	y	z
x	6.696	-0.868	0.000
y	-0.868	7.257	0.000
z	0.000	0.000	7.790

<r²>	102.152
(<r²>)^1/2	10.107

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

using model chemistry: B1B95/6-31+G**

States and conformations

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