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	hartrees
Energy at 0K	-630.784971
Energy at 298.15K	-630.796602
HF Energy	-629.673359
Nuclear repulsion energy	332.494865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3191	3022	10.60
2	A	3187	3018	15.77
3	A	3181	3012	19.86
4	A	3173	3005	10.19
5	A	3165	2998	4.27
6	A	3161	2994	1.51
7	A	3108	2944	4.99
8	A	3104	2940	11.60
9	A	3092	2928	16.68
10	A	3087	2924	14.51
11	A	1548	1466	8.43
12	A	1546	1464	8.53
13	A	1541	1460	6.06
14	A	1536	1455	14.45
15	A	1510	1431	14.01
16	A	1500	1421	9.04
17	A	1452	1375	8.28
18	A	1445	1369	11.49
19	A	1353	1282	2.09
20	A	1328	1258	1.53
21	A	1295	1226	1.50
22	A	1280	1213	0.38
23	A	1119	1060	11.37
24	A	1104	1045	91.65
25	A	1094	1036	11.12
26	A	1087	1030	35.41
27	A	1054	999	5.74
28	A	1015	962	3.26
29	A	999	946	8.11
30	A	810	768	10.68
31	A	775	734	12.23
32	A	716	678	22.65
33	A	637	604	9.76
34	A	479	453	6.21
35	A	378	358	1.29
36	A	324	307	3.63
37	A	301	285	2.01
38	A	243	231	1.18
39	A	230	217	7.55
40	A	204	193	4.09
41	A	131	124	2.48
42	A	77	73	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	1.372	1.497	0.559
H2	2.033	2.337	0.339
H3	0.551	1.870	1.172
H4	1.931	0.759	1.138
C5	-2.240	0.639	-0.084
H6	-2.521	0.271	-1.074
H7	-3.153	0.716	0.509
H8	-1.835	1.646	-0.196
C9	-1.253	-0.299	0.596
H10	-1.724	-1.255	0.843
H11	-0.837	0.104	1.522
C12	0.878	0.858	-0.728
H13	0.161	1.473	-1.277
S14	0.145	-0.787	-0.454
O15	1.101	-1.519	0.453
H16	1.716	0.649	-1.399

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	H13	S14	O15	H16
C1		1.0917	1.0911	1.0915	3.7674	4.3961	4.5925	3.2977	3.1811	4.1516	2.7840	1.5190	2.1996	2.7827	3.0303	2.1610
H2	1.0917		1.7638	1.7717	4.6175	5.1972	5.4368	3.9656	4.2213	5.2222	3.8249	2.1589	2.6204	3.7351	3.9694	2.4439
H3	1.0911	1.7638		1.7721	3.2981	4.1275	3.9356	2.7587	2.8795	3.8788	2.2735	2.1775	2.5114	3.1408	3.5085	3.0757
H4	1.0915	1.7717	1.7721		4.3472	4.9947	5.1229	4.0917	3.3986	4.1829	2.8705	2.1441	3.0777	2.8474	2.5197	2.5480
C5	3.7674	4.6175	3.2981	4.3472		1.0931	1.0919	1.0907	1.5217	2.1707	2.1980	3.1913	2.8071	2.8033	4.0136	4.1686
H6	4.3961	5.1972	4.1275	4.9947	1.0931		1.7617	1.7698	2.1726	2.5761	3.0985	3.4671	2.9458	2.9349	4.3193	4.2664
H7	4.5925	5.4368	3.9356	5.1229	1.0919	1.7617		1.7606	2.1562	2.4578	2.6008	4.2195	3.8398	3.7507	4.8065	5.2303
H8	3.2977	3.9656	2.7587	4.0917	1.0907	1.7698	1.7606		2.1789	3.0829	2.5146	2.8747	2.2759	3.1470	4.3656	3.8793
C9	3.1811	4.2213	2.8795	3.3986	1.5217	2.1726	2.1562	2.1789		1.0933	1.0922	2.7631	2.9404	1.8153	2.6557	3.7006
H10	4.1516	5.2222	3.8788	4.1829	2.1707	2.5761	2.4578	3.0829	1.0933		1.7586	3.7014	3.9347	2.3222	2.8638	4.5254
H11	2.7840	3.8249	2.2735	2.8705	2.1980	3.0985	2.6008	2.5146	1.0922	1.7586		2.9282	3.2717	2.3794	2.7453	3.9178
C12	1.5190	2.1589	2.1775	2.1441	3.1913	3.4671	4.2195	2.8747	2.7631	3.7014	2.9282		1.0929	1.8212	2.6637	1.0936
H13	2.1996	2.6204	2.5114	3.0777	2.8071	2.9458	3.8398	2.2759	2.9404	3.9347	3.2717	1.0929		2.4047	3.5818	1.7644
S14	2.7827	3.7351	3.1408	2.8474	2.8033	2.9349	3.7507	3.1470	1.8153	2.3222	2.3794	1.8212	2.4047		1.5072	2.3282
O15	3.0303	3.9694	3.5085	2.5197	4.0136	4.3193	4.8065	4.3656	2.6557	2.8638	2.7453	2.6637	3.5818	1.5072		2.9168
H16	2.1610	2.4439	3.0757	2.5480	4.1686	4.2664	5.2303	3.8793	3.7006	4.5254	3.9178	1.0936	1.7644	2.3282	2.9168

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	H13	113.732	C1	C12	S14	112.522
C1	C12	H16	110.561	H2	C1	H3	107.808
H2	C1	H4	108.484	H2	C1	C12	110.507
H3	C1	H4	108.569	H3	C1	C12	112.035
H4	C1	C12	109.348	C5	C9	H10	111.158
C5	C9	H11	113.448	C5	C9	S14	114.007
H6	C5	H7	107.460	H6	C5	H8	108.271
H6	C5	C9	111.321	H7	C5	H8	107.538
H7	C5	C9	110.089	H8	C5	C9	111.979
C9	S14	C12	98.898	C9	S14	O15	105.754
H10	C9	H11	107.153	H10	C9	S14	103.136
H11	C9	S14	107.215	C12	S14	O15	105.931
H13	C12	S14	108.623	H13	C12	H16	107.596
S14	C12	H16	103.176

All results from a given calculation for C₄H₁₀OS (Diethyl sulfoxide)

using model chemistry: MP2=FULL/6-311G*

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 C4H10OS (Diethyl sulfoxide)

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₄H₁₀OS (Diethyl sulfoxide)