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	hartrees
Energy at 0K	-551.583489
Energy at 298.15K	-551.590661
HF Energy	-551.583489
Nuclear repulsion energy	183.641658

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'	3297	3007	6.28	86.98	0.70	0.83
2	A'	3287	2998	16.96	93.05	0.74	0.85
3	A'	3183	2903	13.26	292.94	0.00	0.00
4	A'	1570	1432	17.07	0.86	0.71	0.83
5	A'	1550	1413	4.70	7.40	0.72	0.84
6	A'	1454	1326	3.92	4.61	0.07	0.13
7	A'	1114	1016	10.74	1.00	0.23	0.38
8	A'	1106	1009	107.63	5.92	0.53	0.69
9	A'	1029	938	42.29	4.24	0.67	0.80
10	A'	724	661	0.96	37.47	0.10	0.17
11	A'	383	350	10.19	1.34	0.23	0.38
12	A'	299	273	0.85	2.23	0.70	0.83
13	A'	243	222	0.50	0.04	0.62	0.77
14	A"	3296	3006	3.33	35.92	0.75	0.86
15	A"	3283	2994	0.29	12.08	0.75	0.86
16	A"	3179	2899	8.54	0.50	0.75	0.86
17	A"	1553	1416	0.22	7.87	0.75	0.86
18	A"	1537	1402	8.11	1.18	0.75	0.86
19	A"	1430	1304	0.01	1.34	0.75	0.86
20	A"	1016	927	8.15	0.72	0.75	0.86
21	A"	966	881	1.12	0.10	0.75	0.86
22	A"	767	699	5.69	16.85	0.75	0.86
23	A"	340	310	14.53	2.97	0.75	0.86
24	A"	197	180	0.00	0.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.262	0.414	0.000
O2	-1.112	1.045	0.000
C3	0.262	-0.762	1.368
C4	0.262	-0.762	-1.368
H5	1.186	-1.338	1.358
H6	1.186	-1.338	-1.358
H7	0.199	-0.178	2.282
H8	0.199	-0.178	-2.282
H9	-0.609	-1.408	1.281
H10	-0.609	-1.408	-1.281

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5117	1.8043	1.8043	2.4016	2.4016	2.3586	2.3586	2.3913	2.3913
O2	1.5117		2.6502	2.6502	3.5778	3.5778	2.9020	2.9020	2.8120	2.8120
C3	1.8043	2.6502		2.7362	1.0888	2.9354	1.0866	3.6973	1.0877	2.8621
C4	1.8043	2.6502	2.7362		2.9354	1.0888	3.6973	1.0866	2.8621	1.0877
H5	2.4016	3.5778	1.0888	2.9354		2.7159	1.7816	3.9459	1.7978	3.1920
H6	2.4016	3.5778	2.9354	1.0888	2.7159		3.9459	1.7816	3.1920	1.7978
H7	2.3586	2.9020	1.0866	3.6973	1.7816	3.9459		4.5644	1.7799	3.8548
H8	2.3586	2.9020	3.6973	1.0866	3.9459	1.7816	4.5644		3.8548	1.7799
H9	2.3913	2.8120	1.0877	2.8621	1.7978	3.1920	1.7799	3.8548		2.5615
H10	2.3913	2.8120	2.8621	1.0877	3.1920	1.7978	3.8548	1.7799	2.5615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.742	S1	C3	H7	106.703
S1	C3	H9	109.036	S1	C4	H6	109.742
S1	C4	H8	106.703	S1	C4	H10	109.036
O2	S1	C3	105.775	O2	S1	C4	105.775
C3	S1	C4	98.622	H5	C3	H7	109.964
H5	C3	H9	111.388	H6	C4	H8	109.964
H6	C4	H10	111.388	H7	C3	H9	109.890
H8	C4	H10	109.890

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

using model chemistry: HF/daug-cc-pVDZ

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	1.333
2	O	-1.306
3	C	0.214
4	C	0.214
5	H	-0.081
6	H	-0.081
7	H	-0.086
8	H	-0.086
9	H	-0.060
10	H	-0.060

	x	y	z	Total
	3.036	-3.652	0.000	4.749
CHELPG
AIM
ESP

	x	y	z
x	6.729	-0.600	0.000
y	-0.600	7.245	0.000
z	0.000	0.000	8.081

<r²>	101.996
(<r²>)^1/2	10.099

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

using model chemistry: HF/daug-cc-pVDZ

States and conformations

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