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	hartrees
Energy at 0K	-551.772057
Energy at 298.15K	-551.778544
HF Energy	-551.389347
Nuclear repulsion energy	173.595481

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'	3226	3065	2.05	93.93	0.71	0.83
2	A'	3216	3055	7.26	91.07	0.74	0.85
3	A'	3093	2939	8.83	183.29	0.00	0.01
4	A'	1541	1464	27.75	4.15	0.72	0.84
5	A'	1523	1447	5.49	26.37	0.73	0.84
6	A'	1422	1351	3.22	0.33	0.42	0.60
7	A'	1072	1018	21.26	10.67	0.67	0.80
8	A'	1038	986	14.68	7.99	0.75	0.86
9	A'	835	793	68.10	4.91	0.68	0.81
10	A'	612	581	7.49	45.49	0.10	0.18
11	A'	303	288	7.13	2.45	0.38	0.55
12	A'	244	232	2.77	3.12	0.71	0.83
13	A'	185	176	1.12	0.07	0.33	0.50
14	A"	3225	3064	0.87	36.88	0.75	0.86
15	A"	3214	3053	0.02	6.35	0.75	0.86
16	A"	3093	2939	4.81	1.01	0.75	0.86
17	A"	1526	1450	2.63	34.05	0.75	0.86
18	A"	1511	1435	10.88	5.16	0.75	0.86
19	A"	1398	1329	0.05	0.45	0.75	0.86
20	A"	994	944	0.49	9.81	0.75	0.86
21	A"	957	909	0.84	1.68	0.75	0.86
22	A"	656	624	11.39	25.94	0.75	0.86
23	A"	226	215	9.38	6.37	0.75	0.86
24	A"	140	133	0.11	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.293	0.439	0.000
O2	-1.240	1.119	0.000
C3	0.293	-0.816	1.419
C4	0.293	-0.816	-1.419
H5	1.201	-1.424	1.356
H6	1.201	-1.424	-1.356
H7	0.271	-0.238	2.346
H8	0.271	-0.238	-2.346
H9	-0.613	-1.424	1.331
H10	-0.613	-1.424	-1.331

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.6766	1.8939	1.8939	2.4761	2.4761	2.4416	2.4416	2.4620	2.4620
O2	1.6766		2.8468	2.8468	3.7759	3.7759	3.1025	3.1025	2.9372	2.9372
C3	1.8939	2.8468		2.8372	1.0943	2.9816	1.0929	3.8086	1.0947	2.9579
C4	1.8939	2.8468	2.8372		2.9816	1.0943	3.8086	1.0929	2.9579	1.0947
H5	2.4761	3.7759	1.0943	2.9816		2.7113	1.8031	3.9964	1.8143	3.2416
H6	2.4761	3.7759	2.9816	1.0943	2.7113		3.9964	1.8031	3.2416	1.8143
H7	2.4416	3.1025	1.0929	3.8086	1.8031	3.9964		4.6916	1.7940	3.9629
H8	2.4416	3.1025	3.8086	1.0929	3.9964	1.8031	4.6916		3.9629	1.7940
H9	2.4620	2.9372	1.0947	2.9579	1.8143	3.2416	1.7940	3.9629		2.6614
H10	2.4620	2.9372	2.9579	1.0947	3.2416	1.8143	3.9629	1.7940	2.6614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	108.957	S1	C3	H7	106.562
S1	C3	H9	107.922	S1	C4	H6	108.957
S1	C4	H8	106.562	S1	C4	H10	107.922
O2	S1	C3	105.585	O2	S1	C4	105.585
C3	S1	C4	97.010	H5	C3	H7	111.049
H5	C3	H9	111.957	H6	C4	H8	111.049
H6	C4	H10	111.957	H7	C3	H9	110.188
H8	C4	H10	110.188

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3SOCH3 (Dimethyl sulfoxide)

using model chemistry: MP2=FULL/6-31G

States and conformations

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