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	hartrees
Energy at 0K	-233.256321
Energy at 298.15K	-233.267635
HF Energy	-232.232823
Nuclear repulsion energy	191.287534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3182	3021	24.96
2	A₁	3104	2947	5.02
3	A₁	3036	2883	95.93
4	A₁	1563	1484	1.71
5	A₁	1529	1452	3.62
6	A₁	1470	1395	6.42
7	A₁	1412	1341	1.40
8	A₁	1199	1138	17.67
9	A₁	1093	1038	13.28
10	A₁	874	830	7.16
11	A₁	447	424	0.11
12	A₁	195	185	0.53
13	A₂	3187	3026	0.00
14	A₂	3060	2905	0.00
15	A₂	1512	1436	0.00
16	A₂	1318	1251	0.00
17	A₂	1188	1127	0.00
18	A₂	825	783	0.00
19	A₂	270	257	0.00
20	A₂	102	96	0.00
21	B₁	3187	3025	37.60
22	B₁	3055	2900	95.59
23	B₁	1513	1436	12.59
24	B₁	1321	1254	4.56
25	B₁	1220	1158	10.63
26	B₁	840	798	0.52
27	B₁	278	264	1.63
28	B₁	113	107	3.75
29	B₂	3182	3021	11.72
30	B₂	3104	2947	24.89
31	B₂	3029	2876	8.52
32	B₂	1545	1467	1.84
33	B₂	1526	1449	2.48
34	B₂	1427	1355	41.52
35	B₂	1393	1323	22.66
36	B₂	1194	1134	194.58
37	B₂	1122	1065	1.28
38	B₂	968	919	5.43
39	B₂	436	414	3.15

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.334
C2	0.000	1.182	-0.522
C3	0.000	-1.182	-0.522
C4	0.000	2.396	0.380
C5	0.000	-2.396	0.380
H6	0.869	1.165	-1.130
H7	-0.869	1.165	-1.130
H8	0.869	-1.165	-1.130
H9	-0.869	-1.165	-1.130
H10	0.000	3.275	-0.218
H11	0.000	-3.275	-0.218
H12	-0.868	2.382	0.998
H13	0.868	2.382	0.998
H14	0.868	-2.382	0.998
H15	-0.868	-2.382	0.998

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4594	1.4594	2.3964	2.3964	2.0633	2.0633	2.0633	2.0633	3.3216	3.3216	2.6206	2.6206	2.6206	2.6206
C2	1.4594		2.3638	1.5124	3.6898	1.0607	1.0607	2.5756	2.5756	2.1155	4.4677	2.1225	2.1225	3.9705	3.9705
C3	1.4594	2.3638		3.6898	1.5124	2.5756	2.5756	1.0607	1.0607	4.4677	2.1155	3.9705	3.9705	2.1225	2.1225
C4	2.3964	1.5124	3.6898		4.7919	2.1332	2.1332	3.9646	3.9646	1.0632	5.7028	1.0659	1.0659	4.8952	4.8952
C5	2.3964	3.6898	1.5124	4.7919		3.9646	3.9646	2.1332	2.1332	5.7028	1.0632	4.8952	4.8952	1.0659	1.0659
H6	2.0633	1.0607	2.5756	2.1332	3.9646		1.7375	2.3304	2.9069	2.4578	4.6159	3.0047	2.4520	4.1368	4.4865
H7	2.0633	1.0607	2.5756	2.1332	3.9646	1.7375		2.9069	2.3304	2.4578	4.6159	2.4520	3.0047	4.4865	4.1368
H8	2.0633	2.5756	1.0607	3.9646	2.1332	2.3304	2.9069		1.7375	4.6159	2.4578	4.4865	4.1368	2.4520	3.0047
H9	2.0633	2.5756	1.0607	3.9646	2.1332	2.9069	2.3304	1.7375		4.6159	2.4578	4.1368	4.4865	3.0047	2.4520
H10	3.3216	2.1155	4.4677	1.0632	5.7028	2.4578	2.4578	4.6159	4.6159		6.5508	1.7410	1.7410	5.8511	5.8511
H11	3.3216	4.4677	2.1155	5.7028	1.0632	4.6159	4.6159	2.4578	2.4578	6.5508		5.8511	5.8511	1.7410	1.7410
H12	2.6206	2.1225	3.9705	1.0659	4.8952	3.0047	2.4520	4.4865	4.1368	1.7410	5.8511		1.7358	5.0699	4.7635
H13	2.6206	2.1225	3.9705	1.0659	4.8952	2.4520	3.0047	4.1368	4.4865	1.7410	5.8511	1.7358		4.7635	5.0699
H14	2.6206	3.9705	2.1225	4.8952	1.0659	4.1368	4.4865	2.4520	3.0047	5.8511	1.7410	5.0699	4.7635		1.7358
H15	2.6206	3.9705	2.1225	4.8952	1.0659	4.4865	4.1368	3.0047	2.4520	5.8511	1.7410	4.7635	5.0699	1.7358

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	107.470	O1	C2	H6	108.886
O1	C2	H7	108.886	O1	C3	C5	107.470
O1	C3	H8	108.886	O1	C3	H9	108.886
C2	O1	C3	108.161	C2	C4	H10	109.195
C2	C4	H12	109.598	C2	C4	H13	109.598
C3	C5	H11	109.195	C3	C5	H14	109.598
C3	C5	H15	109.598	C4	C2	H6	110.772
C4	C2	H7	110.772	C5	C3	H8	110.772
C5	C3	H9	110.772	H6	C2	H7	109.982
H8	C3	H9	109.982	H10	C4	H12	109.709
H10	C4	H13	109.709	H11	C5	H14	109.709
H11	C5	H15	109.709	H12	C4	H13	109.021
H14	C5	H15	109.021

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

using model chemistry: MP2=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

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