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	hartrees
Energy at 0K	-40.881574
Energy at 298.15K	-40.888023
HF Energy	-40.881574
Nuclear repulsion energy	68.889946

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'	3232	3232	14.25	80.61	0.73	0.85
2	A'	3223	3223	34.63	93.96	0.72	0.84
3	A'	3086	3086	30.66	214.10	0.01	0.02
4	A'	1491	1491	33.66	2.97	0.70	0.83
5	A'	1470	1470	8.55	21.15	0.74	0.85
6	A'	1395	1395	3.73	11.06	0.07	0.13
7	A'	1056	1056	25.73	15.64	0.66	0.80
8	A'	1024	1024	14.24	8.46	0.72	0.84
9	A'	736	736	20.47	8.66	0.60	0.75
10	A'	635	635	2.81	76.11	0.10	0.18
11	A'	293	293	5.24	4.81	0.58	0.74
12	A'	245	245	3.00	4.64	0.75	0.86
13	A'	178	178	0.52	0.20	0.60	0.75
14	A"	3229	3229	5.72	46.44	0.75	0.86
15	A"	3223	3223	0.58	3.88	0.75	0.86
16	A"	3086	3086	27.53	8.26	0.75	0.86
17	A"	1477	1477	1.63	25.14	0.75	0.86
18	A"	1459	1459	15.25	4.48	0.75	0.86
19	A"	1370	1370	0.25	2.02	0.75	0.86
20	A"	983	983	0.22	18.30	0.75	0.86
21	A"	941	941	2.17	0.86	0.75	0.86
22	A"	676	676	1.98	48.03	0.75	0.86
23	A"	255	255	10.98	7.41	0.75	0.86
24	A"	130	130	0.06	0.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.310	0.454	0.000
O2	-1.307	1.022	0.000
C3	0.310	-0.788	1.425
C4	0.310	-0.788	-1.425
H5	1.255	-1.348	1.437
H6	1.255	-1.348	-1.437
H7	0.194	-0.197	2.341
H8	0.194	-0.197	-2.341
H9	-0.558	-1.447	1.290
H10	-0.558	-1.447	-1.290

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.7134	1.8907	1.8907	2.4912	2.4912	2.4321	2.4321	2.4557	2.4557
O2	1.7134		2.8145	2.8145	3.7742	3.7742	3.0359	3.0359	2.8843	2.8843
C3	1.8907	2.8145		2.8508	1.0987	3.0660	1.0957	3.8138	1.0978	2.9258
C4	1.8907	2.8145	2.8508		3.0660	1.0987	3.8138	1.0957	2.9258	1.0978
H5	2.4912	3.7742	1.0987	3.0660		2.8741	1.8074	4.0891	1.8218	3.2764
H6	2.4912	3.7742	3.0660	1.0987	2.8741		4.0891	1.8074	3.2764	1.8218
H7	2.4321	3.0359	1.0957	3.8138	1.8074	4.0891		4.6811	1.7978	3.9128
H8	2.4321	3.0359	3.8138	1.0957	4.0891	1.8074	4.6811		3.9128	1.7978
H9	2.4557	2.8843	1.0978	2.9258	1.8218	3.2764	1.7978	3.9128		2.5801
H10	2.4557	2.8843	2.9258	1.0978	3.2764	1.8218	3.9128	1.7978	2.5801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.045	S1	C3	H7	105.964
S1	C3	H9	107.529	S1	C4	H6	110.045
S1	C4	H8	105.964	S1	C4	H10	107.529
O2	S1	C3	102.577	O2	S1	C4	102.577
C3	S1	C4	97.857	H5	C3	H7	110.903
H5	C3	H9	112.077	H6	C4	H8	110.903
H6	C4	H10	112.077	H7	C3	H9	110.085
H8	C4	H10	110.085

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

using model chemistry: wB97X-D/CEP-31G

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	0.515
2	O	-0.622
3	C	-0.537
4	C	-0.537
5	H	0.168
6	H	0.168
7	H	0.222
8	H	0.222
9	H	0.200
10	H	0.200

	x	y	z	Total
	3.900	-4.024	0.000	5.604
CHELPG
AIM
ESP

	x	y	z
x	6.134	-1.229	0.000
y	-1.229	6.222	0.000
z	0.000	0.000	7.219

<r²>	90.684
(<r²>)^1/2	9.523

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

using model chemistry: wB97X-D/CEP-31G

States and conformations

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