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	hartrees
Energy at 0K	-551.358007
Energy at 298.15K	-551.364763
HF Energy	-551.358007
Nuclear repulsion energy	183.139726

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'	3114	3067	0.35	109.44	0.72	0.84
2	A'	3098	3052	2.59	109.51	0.73	0.85
3	A'	2982	2938	4.32	321.77	0.00	0.00
4	A'	1405	1385	35.07	1.78	0.62	0.76
5	A'	1382	1361	7.16	14.59	0.66	0.79
6	A'	1276	1257	25.15	2.22	0.14	0.25
7	A'	1095	1079	145.67	16.45	0.41	0.58
8	A'	983	969	16.20	1.43	0.40	0.57
9	A'	923	909	5.66	2.17	0.73	0.84
10	A'	651	642	10.54	22.85	0.22	0.36
11	A'	354	349	7.12	1.69	0.15	0.26
12	A'	277	273	0.48	3.17	0.74	0.85
13	A'	228	225	0.27	0.11	0.75	0.86
14	A"	3114	3067	0.05	46.55	0.75	0.86
15	A"	3096	3050	0.10	10.93	0.75	0.86
16	A"	2983	2938	1.49	2.00	0.75	0.86
17	A"	1384	1364	0.00	17.78	0.75	0.86
18	A"	1364	1343	18.49	1.20	0.75	0.86
19	A"	1252	1233	11.57	0.23	0.75	0.86
20	A"	890	876	9.28	1.29	0.75	0.86
21	A"	852	839	4.28	0.03	0.75	0.86
22	A"	674	664	20.42	16.69	0.75	0.86
23	A"	297	292	7.81	4.87	0.75	0.86
24	A"	170	167	0.01	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.261	0.431	0.000
O2	-1.104	1.081	0.000
C3	0.261	-0.788	1.338
C4	0.261	-0.788	-1.338
H5	1.191	-1.379	1.312
H6	1.191	-1.379	-1.312
H7	0.199	-0.230	2.285
H8	0.199	-0.230	-2.285
H9	-0.627	-1.434	1.229
H10	-0.627	-1.434	-1.229

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5113	1.8096	1.8096	2.4213	2.4213	2.3792	2.3792	2.4028	2.4028
O2	1.5113		2.6727	2.6727	3.6109	3.6109	2.9387	2.9387	2.8391	2.8391
C3	1.8096	2.6727		2.6759	1.1026	2.8701	1.1004	3.6659	1.1032	2.7915
C4	1.8096	2.6727	2.6759		2.8701	1.1026	3.6659	1.1004	2.7915	1.1032
H5	2.4213	3.6109	1.1026	2.8701		2.6240	1.8028	3.9039	1.8204	3.1244
H6	2.4213	3.6109	2.8701	1.1026	2.6240		3.9039	1.8028	3.1244	1.8204
H7	2.3792	2.9387	1.1004	3.6659	1.8028	3.9039		4.5694	1.8017	3.8045
H8	2.3792	2.9387	3.6659	1.1004	3.9039	1.8028	4.5694		3.8045	1.8017
H9	2.4028	2.8391	1.1032	2.7915	1.8204	3.1244	1.8017	3.8045		2.4573
H10	2.4028	2.8391	2.7915	1.1032	3.1244	1.8204	3.8045	1.8017	2.4573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.109	S1	C3	H7	107.159
S1	C3	H9	108.726	S1	C4	H6	110.109
S1	C4	H8	107.159	S1	C4	H10	108.726
O2	S1	C3	106.838	O2	S1	C4	106.838
C3	S1	C4	95.357	H5	C3	H7	109.831
H5	C3	H9	111.232	H6	C4	H8	109.831
H6	C4	H10	111.232	H7	C3	H9	109.690
H8	C4	H10	109.690

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

using model chemistry: SVWN/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	0.634
2	O	-0.642
3	C	-0.671
4	C	-0.671
5	H	0.211
6	H	0.211
7	H	0.237
8	H	0.237
9	H	0.228
10	H	0.228

	x	y	z	Total
	2.680	-3.293	0.000	4.246
CHELPG
AIM
ESP

	x	y	z
x	7.190	-0.908	0.000
y	-0.908	7.786	0.000
z	0.000	0.000	8.249

<r²>	102.314
(<r²>)^1/2	10.115

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

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

States and conformations

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