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	hartrees
Energy at 0K	-232.925858
Energy at 298.15K	-232.937099
HF Energy	-232.160308
Nuclear repulsion energy	189.558175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3196	3044	25.72
2	A₁	3094	2947	5.57
3	A₁	3016	2873	104.28
4	A₁	1540	1466	0.57
5	A₁	1503	1431	4.16
6	A₁	1460	1390	5.54
7	A₁	1394	1328	0.21
8	A₁	1191	1134	18.38
9	A₁	1091	1039	12.87
10	A₁	870	829	7.29
11	A₁	447	425	0.13
12	A₁	193	184	0.43
13	A₂	3202	3050	0.00
14	A₂	3058	2913	0.00
15	A₂	1481	1411	0.00
16	A₂	1298	1237	0.00
17	A₂	1176	1121	0.00
18	A₂	819	780	0.00
19	A₂	263	250	0.00
20	A₂	95	91	0.00
21	B₁	3202	3050	40.25
22	B₁	3055	2910	128.98
23	B₁	1481	1411	11.04
24	B₁	1302	1240	4.12
25	B₁	1209	1151	12.73
26	B₁	832	793	0.34
27	B₁	271	258	1.77
28	B₁	111	106	3.54
29	B₂	3196	3044	14.59
30	B₂	3093	2946	27.58
31	B₂	3007	2864	8.06
32	B₂	1518	1446	3.22
33	B₂	1500	1429	1.02
34	B₂	1415	1348	55.33
35	B₂	1376	1311	35.67
36	B₂	1192	1136	188.01
37	B₂	1112	1059	0.13
38	B₂	963	918	6.51
39	B₂	431	410	3.26

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.273
C2	0.000	1.172	-0.522
C3	0.000	-1.172	-0.522
C4	0.000	2.371	0.410
C5	0.000	-2.371	0.410
H6	0.893	1.190	-1.183
H7	-0.893	1.190	-1.183
H8	0.893	-1.190	-1.183
H9	-0.893	-1.190	-1.183
H10	0.000	3.311	-0.166
H11	0.000	-3.311	-0.166
H12	-0.893	2.350	1.054
H13	0.893	2.350	1.054
H14	0.893	-2.350	1.054
H15	-0.893	-2.350	1.054

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4164	1.4164	2.3753	2.3753	2.0817	2.0817	2.0817	2.0817	3.3401	3.3401	2.6328	2.6328	2.6328	2.6328
C2	1.4164		2.3445	1.5187	3.6641	1.1112	1.1112	2.6106	2.6106	2.1683	4.4975	2.1610	2.1610	3.9611	3.9611
C3	1.4164	2.3445		3.6641	1.5187	2.6106	2.6106	1.1112	1.1112	4.4975	2.1683	3.9611	3.9611	2.1610	2.1610
C4	2.3753	1.5187	3.6641		4.7427	2.1747	2.1747	4.0023	4.0023	1.1022	5.7116	1.1014	1.1014	4.8484	4.8484
C5	2.3753	3.6641	1.5187	4.7427		4.0023	4.0023	2.1747	2.1747	5.7116	1.1022	4.8484	4.8484	1.1014	1.1014
H6	2.0817	1.1112	2.6106	2.1747	4.0023		1.7865	2.3803	2.9761	2.5160	4.7003	3.0888	2.5199	4.1879	4.5529
H7	2.0817	1.1112	2.6106	2.1747	4.0023	1.7865		2.9761	2.3803	2.5160	4.7003	2.5199	3.0888	4.5529	4.1879
H8	2.0817	2.6106	1.1112	4.0023	2.1747	2.3803	2.9761		1.7865	4.7003	2.5160	4.5529	4.1879	2.5199	3.0888
H9	2.0817	2.6106	1.1112	4.0023	2.1747	2.9761	2.3803	1.7865		4.7003	2.5160	4.1879	4.5529	3.0888	2.5199
H10	3.3401	2.1683	4.4975	1.1022	5.7116	2.5160	2.5160	4.7003	4.7003		6.6223	1.7915	1.7915	5.8599	5.8599
H11	3.3401	4.4975	2.1683	5.7116	1.1022	4.7003	4.7003	2.5160	2.5160	6.6223		5.8599	5.8599	1.7915	1.7915
H12	2.6328	2.1610	3.9611	1.1014	4.8484	3.0888	2.5199	4.5529	4.1879	1.7915	5.8599		1.7860	5.0285	4.7006
H13	2.6328	2.1610	3.9611	1.1014	4.8484	2.5199	3.0888	4.1879	4.5529	1.7915	5.8599	1.7860		4.7006	5.0285
H14	2.6328	3.9611	2.1610	4.8484	1.1014	4.1879	4.5529	2.5199	3.0888	5.8599	1.7915	5.0285	4.7006		1.7860
H15	2.6328	3.9611	2.1610	4.8484	1.1014	4.5529	4.1879	3.0888	2.5199	5.8599	1.7915	4.7006	5.0285	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	107.999	O1	C2	H6	110.308
O1	C2	H7	110.308	O1	C3	C5	107.999
O1	C3	H8	110.308	O1	C3	H9	110.308
C2	O1	C3	111.707	C2	C4	H10	110.649
C2	C4	H12	110.117	C2	C4	H13	110.117
C3	C5	H11	110.649	C3	C5	H14	110.117
C3	C5	H15	110.117	C4	C2	H6	110.619
C4	C2	H7	110.619	C5	C3	H8	110.619
C5	C3	H9	110.619	H6	C2	H7	107.005
H8	C3	H9	107.005	H10	C4	H12	108.779
H10	C4	H13	108.779	H11	C5	H14	108.779
H11	C5	H15	108.779	H12	C4	H13	108.345
H14	C5	H15	108.345

All results from a given calculation for C₄H₁₀O (Ethoxy ethane)

using model chemistry: MP2/cc-pVDZ

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 C4H10O (Ethoxy ethane)

using model chemistry: MP2/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₁₀O (Ethoxy ethane)