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	hartrees
Energy at 0K	-40.049832
Energy at 298.15K	-40.057012
HF Energy	-40.049832
Nuclear repulsion energy	72.518062

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'	3317	2997	13.88	98.47	0.72	0.84
2	A'	3309	2989	30.51	107.46	0.74	0.85
3	A'	3206	2897	19.42	234.63	0.00	0.01
4	A'	1609	1453	20.55	1.42	0.70	0.83
5	A'	1588	1435	2.73	18.43	0.73	0.84
6	A'	1502	1357	3.48	4.14	0.09	0.17
7	A'	1135	1026	13.02	4.78	0.49	0.66
8	A'	1130	1021	108.80	4.06	0.74	0.85
9	A'	1052	950	56.91	8.64	0.74	0.85
10	A'	739	668	1.67	38.59	0.12	0.21
11	A'	392	354	12.90	1.41	0.30	0.47
12	A'	301	272	0.61	1.80	0.67	0.81
13	A'	243	220	0.86	0.04	0.69	0.82
14	A"	3316	2996	7.03	40.62	0.75	0.86
15	A"	3304	2984	0.93	13.31	0.75	0.86
16	A"	3202	2893	17.48	0.71	0.75	0.86
17	A"	1592	1438	0.24	21.53	0.75	0.86
18	A"	1576	1424	9.17	2.04	0.75	0.86
19	A"	1478	1335	0.02	0.41	0.75	0.86
20	A"	1039	938	6.46	4.87	0.75	0.86
21	A"	988	892	0.47	0.45	0.75	0.86
22	A"	782	707	8.34	22.03	0.75	0.86
23	A"	343	310	15.65	3.17	0.75	0.86
24	A"	191	172	0.03	0.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.261	0.420	0.000
O2	-1.105	1.048	0.000
C3	0.261	-0.767	1.367
C4	0.261	-0.767	-1.367
H5	1.179	-1.346	1.362
H6	1.179	-1.346	-1.362
H7	0.193	-0.195	2.284
H8	0.193	-0.195	-2.284
H9	-0.606	-1.412	1.278
H10	-0.606	-1.412	-1.278

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5034	1.8110	1.8110	2.4119	2.4119	2.3665	2.3665	2.3958	2.3958
O2	1.5034		2.6518	2.6518	3.5782	3.5782	2.9067	2.9067	2.8165	2.8165
C3	1.8110	2.6518		2.7341	1.0849	2.9370	1.0830	3.6963	1.0838	2.8567
C4	1.8110	2.6518	2.7341		2.9370	1.0849	3.6963	1.0830	2.8567	1.0838
H5	2.4119	3.5782	1.0849	2.9370		2.7244	1.7734	3.9484	1.7882	3.1873
H6	2.4119	3.5782	2.9370	1.0849	2.7244		3.9484	1.7734	3.1873	1.7882
H7	2.3665	2.9067	1.0830	3.6963	1.7734	3.9484		4.5681	1.7697	3.8476
H8	2.3665	2.9067	3.6963	1.0830	3.9484	1.7734	4.5681		3.8476	1.7697
H9	2.3958	2.8165	1.0838	2.8567	1.7882	3.1873	1.7697	3.8476		2.5552
H10	2.3958	2.8165	2.8567	1.0838	3.1873	1.7882	3.8476	1.7697	2.5552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.256	S1	C3	H7	107.011
S1	C3	H9	109.117	S1	C4	H6	110.256
S1	C4	H8	107.011	S1	C4	H10	109.117
O2	S1	C3	105.901	O2	S1	C4	105.901
C3	S1	C4	98.029	H5	C3	H7	109.767
H5	C3	H9	111.083	H6	C4	H8	109.767
H6	C4	H10	111.083	H7	C3	H9	109.515
H8	C4	H10	109.515

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

using model chemistry: HF/CEP-121G*

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	-0.695
3	C	-0.586
4	C	-0.586
5	H	0.174
6	H	0.174
7	H	0.217
8	H	0.217
9	H	0.195
10	H	0.195

	x	y	z	Total
	3.142	-3.561	0.000	4.749
CHELPG
AIM
ESP

	x	y	z
x	5.779	-0.678	0.000
y	-0.678	6.285	0.000
z	0.000	0.000	7.066

<r²>	84.386
(<r²>)^1/2	9.186

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

using model chemistry: HF/CEP-121G*

States and conformations

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