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	hartrees
Energy at 0K	-551.650253
Energy at 298.15K	-551.657512
HF Energy	-551.650253
Nuclear repulsion energy	185.807703

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'	3276	2981	7.38	94.15	0.70	0.82
2	A'	3270	2976	19.58	99.02	0.74	0.85
3	A'	3178	2892	11.22	265.18	0.00	0.00
4	A'	1597	1453	16.45	1.55	0.75	0.86
5	A'	1575	1434	4.22	10.71	0.72	0.84
6	A'	1479	1346	7.03	3.76	0.10	0.18
7	A'	1192	1085	155.50	6.16	0.63	0.78
8	A'	1126	1025	19.42	1.47	0.33	0.49
9	A'	1056	961	14.71	2.50	0.73	0.84
10	A'	732	666	2.88	31.58	0.10	0.19
11	A'	404	368	10.25	1.26	0.43	0.61
12	A'	306	279	0.52	1.82	0.69	0.82
13	A'	251	228	0.74	0.04	0.45	0.62
14	A"	3275	2980	3.91	40.76	0.75	0.86
15	A"	3265	2971	0.33	10.65	0.75	0.86
16	A"	3174	2889	8.17	0.13	0.75	0.86
17	A"	1580	1438	0.22	11.95	0.75	0.86
18	A"	1563	1423	7.67	1.83	0.75	0.86
19	A"	1458	1327	0.24	0.52	0.75	0.86
20	A"	1027	934	10.42	1.71	0.75	0.86
21	A"	976	889	1.31	0.03	0.75	0.86
22	A"	770	700	11.17	15.03	0.75	0.86
23	A"	356	324	14.64	2.69	0.75	0.86
24	A"	203	185	0.00	0.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.254	0.415	0.000
O2	-1.077	1.042	0.000
C3	0.254	-0.761	1.356
C4	0.254	-0.761	-1.356
H5	1.167	-1.341	1.344
H6	1.167	-1.341	-1.344
H7	0.198	-0.186	2.269
H8	0.198	-0.186	-2.269
H9	-0.615	-1.399	1.273
H10	-0.615	-1.399	-1.273

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.4712	1.7947	1.7947	2.3928	2.3928	2.3480	2.3480	2.3804	2.3804
O2	1.4712		2.6191	2.6191	3.5387	3.5387	2.8779	2.8779	2.7914	2.7914
C3	1.7947	2.6191		2.7115	1.0819	2.9088	1.0802	3.6703	1.0811	2.8414
C4	1.7947	2.6191	2.7115		2.9088	1.0819	3.6703	1.0802	2.8414	1.0811
H5	2.3928	3.5387	1.0819	2.9088		2.6887	1.7684	3.9151	1.7841	3.1669
H6	2.3928	3.5387	2.9088	1.0819	2.6887		3.9151	1.7684	3.1669	1.7841
H7	2.3480	2.8779	1.0802	3.6703	1.7684	3.9151		4.5378	1.7668	3.8310
H8	2.3480	2.8779	3.6703	1.0802	3.9151	1.7684	4.5378		3.8310	1.7668
H9	2.3804	2.7914	1.0811	2.8414	1.7841	3.1669	1.7668	3.8310		2.5464
H10	2.3804	2.7914	2.8414	1.0811	3.1669	1.7841	3.8310	1.7668	2.5464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.096	S1	C3	H7	106.871
S1	C3	H9	109.205	S1	C4	H6	110.096
S1	C4	H8	106.871	S1	C4	H10	109.205
O2	S1	C3	106.212	O2	S1	C4	106.212
C3	S1	C4	98.125	H5	C3	H7	109.763
H5	C3	H9	111.145	H6	C4	H8	109.763
H6	C4	H10	111.145	H7	C3	H9	109.663
H8	C4	H10	109.663

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

using model chemistry: HF/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	0.557
2	O	-0.648
3	C	-0.280
4	C	-0.280
5	H	0.091
6	H	0.091
7	H	0.124
8	H	0.124
9	H	0.110
10	H	0.110

	x	y	z	Total
	2.789	-3.384	0.000	4.385
CHELPG
AIM	-2.463	-1.080	0.000	2.689
ESP	4.148	-1.445	0.000	4.393

	x	y	z
x	5.923	-0.559	0.000
y	-0.559	6.552	0.000
z	0.000	0.000	7.441

<r²>	100.232
(<r²>)^1/2	10.012

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

using model chemistry: HF/cc-pVTZ

States and conformations

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