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	hartrees
Energy at 0K	-553.136080
Energy at 298.15K	-553.143035
HF Energy	-553.136080
Nuclear repulsion energy	183.708860

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'	3192	3192	3.98	100.91	0.73	0.84
2	A'	3186	3186	6.18	94.62	0.72	0.84
3	A'	3082	3082	6.13	220.88	0.00	0.00
4	A'	1500	1500	28.23	1.46	0.69	0.82
5	A'	1474	1474	5.16	17.38	0.71	0.83
6	A'	1372	1372	15.82	2.75	0.06	0.11
7	A'	1092	1092	134.58	5.30	0.51	0.68
8	A'	1047	1047	22.80	2.66	0.62	0.76
9	A'	983	983	14.19	4.76	0.72	0.84
10	A'	678	678	8.69	28.05	0.13	0.23
11	A'	372	372	10.25	1.91	0.47	0.64
12	A'	293	293	0.61	2.54	0.73	0.84
13	A'	241	241	0.69	0.10	0.53	0.69
14	A"	3191	3191	1.20	38.16	0.75	0.86
15	A"	3183	3183	0.08	7.80	0.75	0.86
16	A"	3081	3081	3.92	0.16	0.75	0.86
17	A"	1479	1479	0.20	21.34	0.75	0.86
18	A"	1459	1459	12.36	2.09	0.75	0.86
19	A"	1346	1346	5.26	0.15	0.75	0.86
20	A"	953	953	7.09	3.68	0.75	0.86
21	A"	914	914	3.50	0.18	0.75	0.86
22	A"	704	704	18.09	17.23	0.75	0.86
23	A"	312	312	11.53	3.86	0.75	0.86
24	A"	179	179	0.00	0.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.263	0.435	0.000
O2	-1.108	1.048	0.000
C3	0.263	-0.779	1.348
C4	0.263	-0.779	-1.348
H5	1.167	-1.388	1.318
H6	1.167	-1.388	-1.318
H7	0.220	-0.219	2.280
H8	0.220	-0.219	-2.280
H9	-0.634	-1.392	1.250
H10	-0.634	-1.392	-1.250

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5013	1.8143	1.8143	2.4246	2.4246	2.3726	2.3726	2.3889	2.3889
O2	1.5013		2.6523	2.6523	3.5841	3.5841	2.9275	2.9275	2.7828	2.7828
C3	1.8143	2.6523		2.6952	1.0901	2.8799	1.0887	3.6710	1.0903	2.8159
C4	1.8143	2.6523	2.6952		2.8799	1.0901	3.6710	1.0887	2.8159	1.0903
H5	2.4246	3.5841	1.0901	2.8799		2.6363	1.7851	3.8999	1.8019	3.1369
H6	2.4246	3.5841	2.8799	1.0901	2.6363		3.8999	1.7851	3.1369	1.8019
H7	2.3726	2.9275	1.0887	3.6710	1.7851	3.8999		4.5604	1.7793	3.8172
H8	2.3726	2.9275	3.6710	1.0887	3.8999	1.7851	4.5604		3.8172	1.7793
H9	2.3889	2.7828	1.0903	2.8159	1.8019	3.1369	1.7793	3.8172		2.5009
H10	2.3889	2.7828	2.8159	1.0903	3.1369	1.8019	3.8172	1.7793	2.5009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.709	S1	C3	H7	106.964
S1	C3	H9	108.062	S1	C4	H6	110.709
S1	C4	H8	106.964	S1	C4	H10	108.062
O2	S1	C3	105.867	O2	S1	C4	105.867
C3	S1	C4	95.940	H5	C3	H7	110.030
H5	C3	H9	111.465	H6	C4	H8	110.030
H6	C4	H10	111.465	H7	C3	H9	109.485
H8	C4	H10	109.485

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

using model chemistry: M06-2X/6-311G*

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	0.723
2	O	-0.615
3	C	-0.845
4	C	-0.845
5	H	0.251
6	H	0.251
7	H	0.277
8	H	0.277
9	H	0.264
10	H	0.264

	x	y	z	Total
	2.906	-3.202	0.000	4.324
CHELPG
AIM
ESP

	x	y	z
x	5.836	-0.696	0.000
y	-0.696	6.556	0.000
z	0.000	0.000	7.279

<r²>	101.750
(<r²>)^1/2	10.087

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

using model chemistry: M06-2X/6-311G*

States and conformations

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