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	hartrees
Energy at 0K	-233.534981
Energy at 298.15K	-233.546018
HF Energy	-233.534981
Nuclear repulsion energy	187.794495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3046	3021	44.44
2	A₁	2981	2957	8.67
3	A₁	2884	2861	116.74
4	A₁	1530	1518	0.06
5	A₁	1495	1483	2.72
6	A₁	1427	1415	6.70
7	A₁	1391	1380	0.00
8	A₁	1150	1141	15.92
9	A₁	1014	1006	9.46
10	A₁	830	823	8.44
11	A₁	428	424	0.02
12	A₁	188	187	0.66
13	A₂	3051	3026	0.00
14	A₂	2895	2871	0.00
15	A₂	1478	1466	0.00
16	A₂	1266	1256	0.00
17	A₂	1149	1139	0.00
18	A₂	809	802	0.00
19	A₂	249	247	0.00
20	A₂	104	103	0.00
21	B₁	3051	3026	67.72
22	B₁	2893	2870	154.55
23	B₁	1478	1466	8.22
24	B₁	1271	1261	1.89
25	B₁	1182	1173	11.07
26	B₁	819	812	0.82
27	B₁	251	249	1.39
28	B₁	103	102	3.62
29	B₂	3046	3021	20.42
30	B₂	2980	2956	32.41
31	B₂	2869	2846	13.53
32	B₂	1510	1497	2.96
33	B₂	1491	1479	4.97
34	B₂	1400	1388	17.69
35	B₂	1357	1346	69.38
36	B₂	1106	1097	154.84
37	B₂	1064	1056	52.00
38	B₂	920	912	8.19
39	B₂	421	418	2.46

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.329
C2	0.000	1.211	-0.528
C3	0.000	-1.211	-0.528
C4	0.000	2.438	0.387
C5	0.000	-2.438	0.387
H6	0.870	1.203	-1.141
H7	-0.870	1.203	-1.141
H8	0.870	-1.203	-1.141
H9	-0.870	-1.203	-1.141
H10	0.000	3.324	-0.209
H11	0.000	-3.324	-0.209
H12	-0.871	2.425	1.010
H13	0.871	2.425	1.010
H14	0.871	-2.425	1.010
H15	-0.871	-2.425	1.010

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4842	1.4842	2.4388	2.4388	2.0894	2.0894	2.0894	2.0894	3.3673	3.3673	2.6652	2.6652	2.6652	2.6652
C2	1.4842		2.4230	1.5302	3.7625	1.0644	1.0644	2.6383	2.6383	2.1366	4.5468	2.1442	2.1442	4.0434	4.0434
C3	1.4842	2.4230		3.7625	1.5302	2.6383	2.6383	1.0644	1.0644	4.5468	2.1366	4.0434	4.0434	2.1442	2.1442
C4	2.4388	1.5302	3.7625		4.8762	2.1489	2.1489	4.0430	4.0430	1.0675	5.7928	1.0713	1.0713	4.9798	4.9798
C5	2.4388	3.7625	1.5302	4.8762		4.0430	4.0430	2.1489	2.1489	5.7928	1.0675	4.9798	4.9798	1.0713	1.0713
H6	2.0894	1.0644	2.6383	2.1489	4.0430		1.7403	2.4053	2.9688	2.4753	4.7029	3.0255	2.4742	4.2175	4.5629
H7	2.0894	1.0644	2.6383	2.1489	4.0430	1.7403		2.9688	2.4053	2.4753	4.7029	2.4742	3.0255	4.5629	4.2175
H8	2.0894	2.6383	1.0644	4.0430	2.1489	2.4053	2.9688		1.7403	4.7029	2.4753	4.5629	4.2175	2.4742	3.0255
H9	2.0894	2.6383	1.0644	4.0430	2.1489	2.9688	2.4053	1.7403		4.7029	2.4753	4.2175	4.5629	3.0255	2.4742
H10	3.3673	2.1366	4.5468	1.0675	5.7928	2.4753	2.4753	4.7029	4.7029		6.6481	1.7471	1.7471	5.9411	5.9411
H11	3.3673	4.5468	2.1366	5.7928	1.0675	4.7029	4.7029	2.4753	2.4753	6.6481		5.9411	5.9411	1.7471	1.7471
H12	2.6652	2.1442	4.0434	1.0713	4.9798	3.0255	2.4742	4.5629	4.2175	1.7471	5.9411		1.7425	5.1537	4.8502
H13	2.6652	2.1442	4.0434	1.0713	4.9798	2.4742	3.0255	4.2175	4.5629	1.7471	5.9411	1.7425		4.8502	5.1537
H14	2.6652	4.0434	2.1442	4.9798	1.0713	4.2175	4.5629	2.4742	3.0255	5.9411	1.7471	5.1537	4.8502		1.7425
H15	2.6652	4.0434	2.1442	4.9798	1.0713	4.5629	4.2175	3.0255	2.4742	5.9411	1.7471	4.8502	5.1537	1.7425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	107.996	O1	C2	H6	109.021
O1	C2	H7	109.021	O1	C3	C5	107.996
O1	C3	H8	109.021	O1	C3	H9	109.021
C2	O1	C3	109.423	C2	C4	H10	109.383
C2	C4	H12	109.761	C2	C4	H13	109.761
C3	C5	H11	109.383	C3	C5	H14	109.761
C3	C5	H15	109.761	C4	C2	H6	110.547
C4	C2	H7	110.547	C5	C3	H8	110.547
C5	C3	H9	110.547	H6	C2	H7	109.665
H8	C3	H9	109.665	H10	C4	H12	109.546
H10	C4	H13	109.546	H11	C5	H14	109.546
H11	C5	H15	109.546	H12	C4	H13	108.829
H14	C5	H15	108.829

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	O	-0.430
2	C	0.012
3	C	0.012
4	C	-0.413
5	C	-0.413
6	H	0.101
7	H	0.101
8	H	0.101
9	H	0.101
10	H	0.127
11	H	0.127
12	H	0.143
13	H	0.143
14	H	0.143
15	H	0.143

<r²>	179.965
(<r²>)^1/2	13.415

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

using model chemistry: BLYP/6-31G*

States and conformations

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