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	hartrees
Energy at 0K	-546.787198
Energy at 298.15K	-546.793243
HF Energy	-546.787198
Nuclear repulsion energy	172.472506

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'	3507	3507	0.48	60.71	0.74	0.85
2	A'	3505	3505	2.11	44.48	0.73	0.84
3	A'	3301	3301	2.84	83.39	0.00	0.01
4	A'	1673	1673	4.88	1.05	0.64	0.78
5	A'	1662	1662	0.96	24.67	0.72	0.84
6	A'	1435	1435	0.32	0.45	0.61	0.76
7	A'	1018	1018	30.07	2.70	0.11	0.20
8	A'	987	987	17.05	8.98	0.70	0.82
9	A'	909	909	11.64	9.36	0.64	0.78
10	A'	622	622	29.89	27.96	0.12	0.21
11	A'	331	331	5.03	2.10	0.38	0.55
12	A'	263	263	0.09	2.31	0.63	0.77
13	A'	144	144	0.13	0.15	0.74	0.85
14	A"	3505	3505	0.67	11.48	0.75	0.86
15	A"	3504	3504	0.04	6.90	0.75	0.86
16	A"	3300	3300	6.30	0.55	0.75	0.86
17	A"	1667	1667	0.32	30.43	0.75	0.86
18	A"	1657	1657	2.35	4.24	0.75	0.86
19	A"	1410	1410	8.84	0.68	0.75	0.86
20	A"	913	913	3.54	5.47	0.75	0.86
21	A"	890	890	1.39	0.97	0.75	0.86
22	A"	566	566	48.86	19.55	0.75	0.86
23	A"	269	269	0.37	5.61	0.75	0.86
24	A"	100	100	0.04	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.282	0.493	0.000
O2	-1.200	1.147	0.000
C3	0.282	-0.868	1.406
C4	0.282	-0.868	-1.406
H5	1.174	-1.500	1.286
H6	1.174	-1.500	-1.286
H7	0.314	-0.350	2.376
H8	0.314	-0.350	-2.376
H9	-0.633	-1.475	1.335
H10	-0.633	-1.475	-1.335

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.6188	1.9570	1.9570	2.5340	2.5340	2.5213	2.5213	2.5481	2.5481
O2	1.6188		2.8686	2.8686	3.7800	3.7800	3.1898	3.1898	2.9958	2.9958
C3	1.9570	2.8686		2.8119	1.0998	2.9052	1.0997	3.8170	1.1000	2.9527
C4	1.9570	2.8686	2.8119		2.9052	1.0998	3.8170	1.0997	2.9527	1.1000
H5	2.5340	3.7800	1.0998	2.9052		2.5714	1.8023	3.9327	1.8078	3.1835
H6	2.5340	3.7800	2.9052	1.0998	2.5714		3.9327	1.8023	3.1835	1.8078
H7	2.5213	3.1898	1.0997	3.8170	1.8023	3.9327		4.7514	1.8009	3.9913
H8	2.5213	3.1898	3.8170	1.0997	3.9327	1.8023	4.7514		3.9913	1.8009
H9	2.5481	2.9958	1.1000	2.9527	1.8078	3.1835	1.8009	3.9913		2.6702
H10	2.5481	2.9958	2.9527	1.1000	3.1835	1.8078	3.9913	1.8009	2.6702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	108.722	S1	C3	H7	107.831
S1	C3	H9	109.726	S1	C4	H6	108.722
S1	C4	H8	107.831	S1	C4	H10	109.726
O2	S1	C3	106.300	O2	S1	C4	106.300
C3	S1	C4	91.847	H5	C3	H7	110.059
H5	C3	H9	110.532	H6	C4	H8	110.059
H6	C4	H10	110.532	H7	C3	H9	109.918
H8	C4	H10	109.918

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

using model chemistry: TPSSh/STO-3G

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	0.498
2	O	-0.352
3	C	-0.285
4	C	-0.285
5	H	0.068
6	H	0.068
7	H	0.071
8	H	0.071
9	H	0.073
10	H	0.073

	x	y	z	Total
	1.782	-1.431	0.000	2.286
CHELPG
AIM
ESP

	x	y	z
x	3.139	-1.210	0.000
y	-1.210	3.970	0.000
z	0.000	0.000	4.632

<r²>	110.669
(<r²>)^1/2	10.520

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

using model chemistry: TPSSh/STO-3G

States and conformations

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