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	hartrees
Energy at 0K	-552.270232
Energy at 298.15K	-552.277137
HF Energy	-551.615901
Nuclear repulsion energy	182.733793

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'	3222	3054	2.61	88.26	0.71	0.83
2	A'	3212	3045	8.63	92.81	0.75	0.85
3	A'	3094	2933	8.74	255.80	0.00	0.00
4	A'	1490	1413	19.86	3.77	0.74	0.85
5	A'	1470	1393	5.53	14.62	0.71	0.83
6	A'	1379	1308	8.19	2.38	0.07	0.12
7	A'	1096	1039	150.09	5.29	0.56	0.72
8	A'	1044	989	14.06	4.86	0.56	0.72
9	A'	979	928	13.23	5.38	0.74	0.85
10	A'	678	643	10.04	32.04	0.11	0.19
11	A'	374	354	9.75	1.90	0.36	0.53
12	A'	288	273	0.55	2.42	0.75	0.85
13	A'	235	223	0.71	0.10	0.53	0.69
14	A"	3221	3053	1.26	37.21	0.75	0.86
15	A"	3209	3042	0.03	7.40	0.75	0.86
16	A"	3092	2931	4.60	0.44	0.75	0.86
17	A"	1471	1395	0.31	15.97	0.75	0.86
18	A"	1453	1378	9.80	3.41	0.75	0.86
19	A"	1351	1281	1.41	0.30	0.75	0.86
20	A"	944	894	4.84	5.02	0.75	0.86
21	A"	914	866	0.96	0.23	0.75	0.86
22	A"	701	665	18.65	19.23	0.75	0.86
23	A"	318	301	10.77	4.24	0.75	0.86
24	A"	143	135	0.03	0.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.264	0.434	0.000
O2	-1.117	1.072	0.000
C3	0.264	-0.789	1.347
C4	0.264	-0.789	-1.347
H5	1.185	-1.369	1.327
H6	1.185	-1.369	-1.327
H7	0.194	-0.231	2.277
H8	0.194	-0.231	-2.277
H9	-0.611	-1.426	1.231
H10	-0.611	-1.426	-1.231

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5213	1.8188	1.8188	2.4208	2.4208	2.3733	2.3733	2.3958	2.3958
O2	1.5213		2.6804	2.6804	3.6087	3.6087	2.9330	2.9330	2.8309	2.8309
C3	1.8188	2.6804		2.6936	1.0892	2.8869	1.0872	3.6675	1.0887	2.7961
C4	1.8188	2.6804	2.6936		2.8869	1.0892	3.6675	1.0872	2.7961	1.0887
H5	2.4208	3.6087	1.0892	2.8869		2.6536	1.7840	3.9075	1.7998	3.1263
H6	2.4208	3.6087	2.8869	1.0892	2.6536		3.9075	1.7840	3.1263	1.7998
H7	2.3733	2.9330	1.0872	3.6675	1.7840	3.9075		4.5546	1.7806	3.7929
H8	2.3733	2.9330	3.6675	1.0872	3.9075	1.7840	4.5546		3.7929	1.7806
H9	2.3958	2.8309	1.0887	2.7961	1.7998	3.1263	1.7806	3.7929		2.4624
H10	2.3958	2.8309	2.7961	1.0887	3.1263	1.7998	3.7929	1.7806	2.4624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.161	S1	C3	H7	106.792
S1	C3	H9	108.346	S1	C4	H6	110.161
S1	C4	H8	106.792	S1	C4	H10	108.346
O2	S1	C3	106.393	O2	S1	C4	106.393
C3	S1	C4	95.547	H5	C3	H7	110.110
H5	C3	H9	111.462	H6	C4	H8	110.110
H6	C4	H10	111.462	H7	C3	H9	109.843
H8	C4	H10	109.843

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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