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	hartrees
Energy at 0K	-40.272119
Energy at 298.15K	-40.278545
HF Energy	-39.902612
Nuclear repulsion energy	68.761199

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'	3154	3078	5.08	79.60	0.70	0.82
2	A'	3143	3067	15.48	91.56	0.74	0.85
3	A'	2996	2924	18.12	234.08	0.00	0.01
4	A'	1481	1445	23.90	3.28	0.72	0.84
5	A'	1466	1430	5.69	19.82	0.70	0.83
6	A'	1400	1367	4.62	3.54	0.10	0.18
7	A'	1057	1032	16.53	8.25	0.62	0.76
8	A'	1021	996	8.58	7.21	0.73	0.84
9	A'	793	774	66.35	8.30	0.69	0.82
10	A'	611	596	6.06	60.68	0.11	0.19
11	A'	294	287	8.70	3.98	0.37	0.54
12	A'	238	232	2.21	3.90	0.75	0.85
13	A'	178	174	0.79	0.08	0.72	0.84
14	A"	3152	3077	2.90	37.73	0.75	0.86
15	A"	3140	3065	0.03	10.21	0.75	0.86
16	A"	2995	2923	12.46	1.33	0.75	0.86
17	A"	1466	1431	1.08	25.80	0.75	0.86
18	A"	1451	1416	9.58	2.99	0.75	0.86
19	A"	1373	1340	0.00	0.36	0.75	0.86
20	A"	984	960	0.01	9.29	0.75	0.86
21	A"	937	914	0.84	1.31	0.75	0.86
22	A"	657	642	7.08	34.57	0.75	0.86
23	A"	246	240	13.89	6.89	0.75	0.86
24	A"	105	102	0.30	0.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.306	0.454	0.000
O2	-1.290	1.038	0.000
C3	0.306	-0.796	1.437
C4	0.306	-0.796	-1.437
H5	1.229	-1.393	1.410
H6	1.229	-1.393	-1.410
H7	0.247	-0.203	2.358
H8	0.247	-0.203	-2.358
H9	-0.596	-1.410	1.315
H10	-0.596	-1.410	-1.315

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.6996	1.9045	1.9045	2.5000	2.5000	2.4483	2.4483	2.4534	2.4534
O2	1.6996		2.8240	2.8240	3.7735	3.7735	3.0758	3.0758	2.8641	2.8641
C3	1.9045	2.8240		2.8735	1.0991	3.0515	1.0967	3.8408	1.0984	2.9602
C4	1.9045	2.8240	2.8735		3.0515	1.0991	3.8408	1.0967	2.9602	1.0984
H5	2.5000	3.7735	1.0991	3.0515		2.8202	1.8100	4.0711	1.8277	3.2798
H6	2.5000	3.7735	3.0515	1.0991	2.8202		4.0711	1.8100	3.2798	1.8277
H7	2.4483	3.0758	1.0967	3.8408	1.8100	4.0711		4.7152	1.8041	3.9565
H8	2.4483	3.0758	3.8408	1.0967	4.0711	1.8100	4.7152		3.9565	1.8041
H9	2.4534	2.8641	1.0984	2.9602	1.8277	3.2798	1.8041	3.9565		2.6297
H10	2.4534	2.8641	2.9602	1.0984	3.2798	1.8277	3.9565	1.8041	2.6297

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.750	S1	C3	H7	106.184
S1	C3	H9	106.463	S1	C4	H6	109.750
S1	C4	H8	106.184	S1	C4	H10	106.463
O2	S1	C3	103.026	O2	S1	C4	103.026
C3	S1	C4	97.944	H5	C3	H7	111.039
H5	C3	H9	112.556	H6	C4	H8	111.039
H6	C4	H10	112.556	H7	C3	H9	110.548
H8	C4	H10	110.548

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

using model chemistry: MP2/CEP-121G

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

using model chemistry: MP2/CEP-121G

States and conformations

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