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	hartrees
Energy at 0K	-553.108814
Energy at 298.15K	-553.115548
HF Energy	-553.108814
Nuclear repulsion energy	180.722120

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'	3124	3124	6.76	110.75	0.70	0.82
2	A'	3114	3114	19.53	107.90	0.75	0.86
3	A'	3004	3004	9.29	230.62	0.00	0.00
4	A'	1465	1465	17.16	2.79	0.74	0.85
5	A'	1441	1441	2.55	26.26	0.72	0.84
6	A'	1319	1319	5.58	1.00	0.36	0.53
7	A'	1082	1082	106.33	7.55	0.36	0.53
8	A'	1006	1006	20.45	6.88	0.64	0.78
9	A'	941	941	9.74	8.99	0.72	0.84
10	A'	596	596	12.74	25.04	0.12	0.21
11	A'	356	356	5.96	1.74	0.26	0.42
12	A'	282	282	0.59	1.82	0.72	0.84
13	A'	229	229	0.47	0.08	0.49	0.66
14	A"	3123	3123	5.42	39.32	0.75	0.86
15	A"	3110	3110	0.25	8.72	0.75	0.86
16	A"	3002	3002	6.64	0.23	0.75	0.86
17	A"	1445	1445	0.40	31.26	0.75	0.86
18	A"	1428	1428	8.05	4.54	0.75	0.86
19	A"	1294	1294	0.32	1.67	0.75	0.86
20	A"	912	912	5.21	6.35	0.75	0.86
21	A"	876	876	1.98	1.12	0.75	0.86
22	A"	622	622	22.78	14.88	0.75	0.86
23	A"	289	289	5.48	3.74	0.75	0.86
24	A"	175	175	0.00	0.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.258	0.437	0.000
O2	-1.096	1.123	0.000
C3	0.258	-0.813	1.365
C4	0.258	-0.813	-1.365
H5	1.181	-1.405	1.323
H6	1.181	-1.405	-1.323
H7	0.213	-0.254	2.306
H8	0.213	-0.254	-2.306
H9	-0.627	-1.453	1.270
H10	-0.627	-1.453	-1.270

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5181	1.8507	1.8507	2.4487	2.4487	2.4078	2.4078	2.4431	2.4431
O2	1.5181		2.7284	2.7284	3.6505	3.6505	2.9880	2.9880	2.9102	2.9102
C3	1.8507	2.7284		2.7305	1.0971	2.9036	1.0951	3.7138	1.0965	2.8531
C4	1.8507	2.7284	2.7305		2.9036	1.0971	3.7138	1.0951	2.8531	1.0965
H5	2.4487	3.6505	1.0971	2.9036		2.6469	1.7962	3.9287	1.8087	3.1618
H6	2.4487	3.6505	2.9036	1.0971	2.6469		3.9287	1.7962	3.1618	1.8087
H7	2.4078	2.9880	1.0951	3.7138	1.7962	3.9287		4.6121	1.7933	3.8645
H8	2.4078	2.9880	3.7138	1.0951	3.9287	1.7962	4.6121		3.8645	1.7933
H9	2.4431	2.9102	1.0965	2.8531	1.8087	3.1618	1.7933	3.8645		2.5409
H10	2.4431	2.9102	2.8531	1.0965	3.1618	1.8087	3.8645	1.7933	2.5409

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.674	S1	C3	H7	106.822
S1	C3	H9	109.300	S1	C4	H6	109.674
S1	C4	H8	106.822	S1	C4	H10	109.300
O2	S1	C3	107.764	O2	S1	C4	107.764
C3	S1	C4	95.069	H5	C3	H7	110.045
H5	C3	H9	111.082	H6	C4	H8	110.045
H6	C4	H10	111.082	H7	C3	H9	109.821
H8	C4	H10	109.821

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

using model chemistry: B97D3/6-31G**

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	0.704
2	O	-0.589
3	C	-0.515
4	C	-0.515
5	H	0.138
6	H	0.138
7	H	0.162
8	H	0.162
9	H	0.158
10	H	0.158

	x	y	z	Total
	2.271	-2.978	0.000	3.745
CHELPG
AIM
ESP

	x	y	z
x	5.821	-0.909	0.000
y	-0.909	6.605	0.000
z	0.000	0.000	7.230

<r²>	104.329
(<r²>)^1/2	10.214

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

using model chemistry: B97D3/6-31G**

States and conformations

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