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	hartrees
Energy at 0K	-553.213660
Energy at 298.15K	-553.220452
HF Energy	-553.213660
Nuclear repulsion energy	181.602876

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'	3172	3053	4.20	106.07	0.72	0.83
2	A'	3160	3042	13.64	112.31	0.75	0.86
3	A'	3054	2940	10.66	282.92	0.00	0.00
4	A'	1495	1439	22.55	1.33	0.63	0.77
5	A'	1474	1419	4.35	14.92	0.69	0.82
6	A'	1356	1305	6.18	3.31	0.02	0.04
7	A'	1068	1028	136.34	11.59	0.41	0.58
8	A'	1030	992	15.29	1.80	0.67	0.80
9	A'	960	924	17.82	4.48	0.74	0.85
10	A'	631	607	8.34	31.86	0.16	0.28
11	A'	353	340	7.81	2.13	0.20	0.34
12	A'	272	262	0.35	3.18	0.73	0.85
13	A'	222	214	0.34	0.11	0.75	0.85
14	A"	3172	3053	2.04	46.06	0.75	0.86
15	A"	3157	3039	0.13	11.01	0.75	0.86
16	A"	3053	2938	7.07	1.12	0.75	0.86
17	A"	1478	1422	0.01	17.71	0.75	0.86
18	A"	1461	1406	10.48	1.50	0.75	0.86
19	A"	1332	1282	0.58	0.11	0.75	0.86
20	A"	934	899	5.17	1.73	0.75	0.86
21	A"	896	862	1.34	0.01	0.75	0.86
22	A"	661	636	18.16	21.88	0.75	0.86
23	A"	297	286	7.85	5.55	0.75	0.86
24	A"	175	168	0.00	0.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.261	0.431	0.000
O2	-1.105	1.097	0.000
C3	0.261	-0.797	1.364
C4	0.261	-0.797	-1.364
H5	1.184	-1.382	1.332
H6	1.184	-1.382	-1.332
H7	0.208	-0.232	2.296
H8	0.208	-0.232	-2.296
H9	-0.619	-1.439	1.267
H10	-0.619	-1.439	-1.267

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5200	1.8350	1.8350	2.4318	2.4318	2.3904	2.3904	2.4238	2.4238
O2	1.5200		2.7045	2.7045	3.6282	3.6282	2.9604	2.9604	2.8767	2.8767
C3	1.8350	2.7045		2.7274	1.0936	2.9093	1.0913	3.7034	1.0930	2.8472
C4	1.8350	2.7045	2.7274		2.9093	1.0936	3.7034	1.0913	2.8472	1.0930
H5	2.4318	3.6282	1.0936	2.9093		2.6648	1.7898	3.9294	1.8051	3.1642
H6	2.4318	3.6282	2.9093	1.0936	2.6648		3.9294	1.7898	3.1642	1.8051
H7	2.3904	2.9604	1.0913	3.7034	1.7898	3.9294		4.5920	1.7883	3.8517
H8	2.3904	2.9604	3.7034	1.0913	3.9294	1.7898	4.5920		3.8517	1.7883
H9	2.4238	2.8767	1.0930	2.8472	1.8051	3.1642	1.7883	3.8517		2.5343
H10	2.4238	2.8767	2.8472	1.0930	3.1642	1.8051	3.8517	1.7883	2.5343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.661	S1	C3	H7	106.771
S1	C3	H9	109.104	S1	C4	H6	109.661
S1	C4	H8	106.771	S1	C4	H10	109.104
O2	S1	C3	107.062	O2	S1	C4	107.062
C3	S1	C4	96.002	H5	C3	H7	109.998
H5	C3	H9	111.288	H6	C4	H8	109.998
H6	C4	H10	111.288	H7	C3	H9	109.908
H8	C4	H10	109.908

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

using model chemistry: TPSSh/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	0.639
2	O	-0.655
3	C	-0.578
4	C	-0.578
5	H	0.179
6	H	0.179
7	H	0.207
8	H	0.207
9	H	0.200
10	H	0.200

	x	y	z	Total
	2.736	-3.347	0.000	4.323
CHELPG
AIM
ESP

	x	y	z
x	6.852	-0.962	0.000
y	-0.962	7.532	0.000
z	0.000	0.000	8.058

<r²>	103.933
(<r²>)^1/2	10.195

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

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

States and conformations

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