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	hartrees
Energy at 0K	-551.554793
Energy at 298.15K	-551.562040
HF Energy	-551.554793
Nuclear repulsion energy	184.886615

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'	3309	2992	5.03	102.47	0.72	0.84
2	A'	3300	2984	15.35	108.51	0.74	0.85
3	A'	3202	2896	12.45	240.86	0.00	0.00
4	A'	1599	1445	24.23	1.55	0.70	0.82
5	A'	1580	1429	4.42	15.16	0.71	0.83
6	A'	1500	1356	5.62	4.28	0.03	0.07
7	A'	1147	1037	123.27	5.43	0.60	0.75
8	A'	1139	1030	29.00	2.18	0.74	0.85
9	A'	1059	958	48.85	6.80	0.73	0.85
10	A'	745	673	2.00	35.91	0.13	0.23
11	A'	399	361	13.78	1.15	0.15	0.26
12	A'	309	280	0.62	1.82	0.71	0.83
13	A'	250	226	0.58	0.04	0.70	0.82
14	A"	3309	2992	2.47	44.82	0.75	0.86
15	A"	3296	2980	0.18	11.28	0.75	0.86
16	A"	3199	2892	9.78	0.28	0.75	0.86
17	A"	1582	1431	0.30	17.72	0.75	0.86
18	A"	1568	1417	10.11	2.40	0.75	0.86
19	A"	1478	1336	0.60	0.36	0.75	0.86
20	A"	1044	944	8.11	2.15	0.75	0.86
21	A"	995	900	0.76	0.07	0.75	0.86
22	A"	789	714	10.35	21.32	0.75	0.86
23	A"	347	314	15.98	3.47	0.75	0.86
24	A"	207	187	0.01	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.257	0.414	0.000
O2	-1.090	1.052	0.000
C3	0.257	-0.763	1.357
C4	0.257	-0.763	-1.357
H5	1.172	-1.343	1.345
H6	1.172	-1.343	-1.345
H7	0.200	-0.193	2.275
H8	0.200	-0.193	-2.275
H9	-0.611	-1.406	1.278
H10	-0.611	-1.406	-1.278

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.4906	1.7961	1.7961	2.3941	2.3941	2.3555	2.3555	2.3869	2.3869
O2	1.4906		2.6364	2.6364	3.5585	3.5585	2.8967	2.8967	2.8116	2.8116
C3	1.7961	2.6364		2.7144	1.0837	2.9111	1.0818	3.6772	1.0830	2.8481
C4	1.7961	2.6364	2.7144		2.9111	1.0837	3.6772	1.0818	2.8481	1.0830
H5	2.3941	3.5585	1.0837	2.9111		2.6894	1.7702	3.9206	1.7854	3.1721
H6	2.3941	3.5585	2.9111	1.0837	2.6894		3.9206	1.7702	3.1721	1.7854
H7	2.3555	2.8967	1.0818	3.6772	1.7702	3.9206		4.5504	1.7667	3.8410
H8	2.3555	2.8967	3.6772	1.0818	3.9206	1.7702	4.5504		3.8410	1.7667
H9	2.3869	2.8116	1.0830	2.8481	1.7854	3.1721	1.7667	3.8410		2.5563
H10	2.3869	2.8116	2.8481	1.0830	3.1721	1.7854	3.8410	1.7667	2.5563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.000	S1	C3	H7	107.242
S1	C3	H9	109.492	S1	C4	H6	110.000
S1	C4	H8	107.242	S1	C4	H10	109.492
O2	S1	C3	106.298	O2	S1	C4	106.298
C3	S1	C4	98.161	H5	C3	H7	109.659
H5	C3	H9	110.978	H6	C4	H8	109.659
H6	C4	H10	110.978	H7	C3	H9	109.390
H8	C4	H10	109.390

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

using model chemistry: HF/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	0.871
2	O	-0.844
3	C	-0.529
4	C	-0.529
5	H	0.153
6	H	0.153
7	H	0.184
8	H	0.184
9	H	0.178
10	H	0.178

	x	y	z	Total
	3.204	-3.686	0.000	4.884
CHELPG
AIM
ESP

	x	y	z
x	6.095	-0.702	0.000
y	-0.702	6.498	0.000
z	0.000	0.000	7.142

<r²>	101.284
(<r²>)^1/2	10.064

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

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

States and conformations

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