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	hartrees
Energy at 0K	-44.537543
Energy at 298.15K	-44.548608
HF Energy	-44.537543
Nuclear repulsion energy	108.468466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3085	3006	65.88
2	A₁	2999	2922	4.25
3	A₁	2940	2865	144.07
4	A₁	1546	1507	2.98
5	A₁	1521	1483	5.15
6	A₁	1446	1409	6.52
7	A₁	1423	1387	1.19
8	A₁	1164	1134	9.87
9	A₁	1043	1016	10.40
10	A₁	823	802	8.35
11	A₁	418	408	0.09
12	A₁	184	179	0.96
13	A₂	3099	3020	0.00
14	A₂	2979	2903	0.00
15	A₂	1503	1464	0.00
16	A₂	1279	1246	0.00
17	A₂	1160	1130	0.00
18	A₂	821	800	0.00
19	A₂	237	231	0.00
20	A₂	93	90	0.00
21	B₁	3099	3020	103.63
22	B₁	2982	2906	150.74
23	B₁	1503	1465	14.61
24	B₁	1287	1254	1.28
25	B₁	1186	1156	14.24
26	B₁	835	814	1.55
27	B₁	241	235	2.15
28	B₁	100	97	7.12
29	B₂	3085	3006	31.66
30	B₂	2998	2922	57.63
31	B₂	2928	2853	8.82
32	B₂	1532	1493	0.64
33	B₂	1516	1478	8.50
34	B₂	1433	1397	20.41
35	B₂	1375	1340	53.32
36	B₂	1117	1088	93.92
37	B₂	1092	1064	95.76
38	B₂	940	916	15.01
39	B₂	417	407	4.03

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.261
C2	0.000	1.229	-0.539
C3	0.000	-1.229	-0.539
C4	0.000	2.419	0.432
C5	0.000	-2.419	0.432
H6	0.894	1.248	-1.188
H7	-0.894	1.248	-1.188
H8	0.894	-1.248	-1.188
H9	-0.894	-1.248	-1.188
H10	0.000	3.367	-0.124
H11	0.000	-3.367	-0.124
H12	-0.889	2.388	1.073
H13	0.889	2.388	1.073
H14	0.889	-2.388	1.073
H15	-0.889	-2.388	1.073

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4664	1.4664	2.4248	2.4248	2.1108	2.1108	2.1108	2.1108	3.3886	3.3886	2.6743	2.6743	2.6743	2.6743
C2	1.4664		2.4584	1.5352	3.7749	1.1050	1.1050	2.7126	2.7126	2.1775	4.6147	2.1750	2.1750	4.0586	4.0586
C3	1.4664	2.4584		3.7749	1.5352	2.7126	2.7126	1.1050	1.1050	4.6147	2.1775	4.0586	4.0586	2.1750	2.1750
C4	2.4248	1.5352	3.7749		4.8375	2.1890	2.1890	4.1071	4.1071	1.0986	5.8121	1.0964	1.0964	4.9301	4.9301
C5	2.4248	3.7749	1.5352	4.8375		4.1071	4.1071	2.1890	2.1890	5.8121	1.0986	4.9301	4.9301	1.0964	1.0964
H6	2.1108	1.1050	2.7126	2.1890	4.1071		1.7885	2.4964	3.0710	2.5338	4.8197	3.0966	2.5318	4.2817	4.6381
H7	2.1108	1.1050	2.7126	2.1890	4.1071	1.7885		3.0710	2.4964	2.5338	4.8197	2.5318	3.0966	4.6381	4.2817
H8	2.1108	2.7126	1.1050	4.1071	2.1890	2.4964	3.0710		1.7885	4.8197	2.5338	4.6381	4.2817	2.5318	3.0966
H9	2.1108	2.7126	1.1050	4.1071	2.1890	3.0710	2.4964	1.7885		4.8197	2.5338	4.2817	4.6381	3.0966	2.5318
H10	3.3886	2.1775	4.6147	1.0986	5.8121	2.5338	2.5338	4.8197	4.8197		6.7335	1.7832	1.7832	5.9447	5.9447
H11	3.3886	4.6147	2.1775	5.8121	1.0986	4.8197	4.8197	2.5338	2.5338	6.7335		5.9447	5.9447	1.7832	1.7832
H12	2.6743	2.1750	4.0586	1.0964	4.9301	3.0966	2.5318	4.6381	4.2817	1.7832	5.9447		1.7773	5.0960	4.7760
H13	2.6743	2.1750	4.0586	1.0964	4.9301	2.5318	3.0966	4.2817	4.6381	1.7832	5.9447	1.7773		4.7760	5.0960
H14	2.6743	4.0586	2.1750	4.9301	1.0964	4.2817	4.6381	2.5318	3.0966	5.9447	1.7832	5.0960	4.7760		1.7773
H15	2.6743	4.0586	2.1750	4.9301	1.0964	4.6381	4.2817	3.0966	2.5318	5.9447	1.7832	4.7760	5.0960	1.7773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	107.750	O1	C2	H6	109.547
O1	C2	H7	109.547	O1	C3	C5	107.750
O1	C3	H8	109.547	O1	C3	H9	109.547
C2	O1	C3	113.915	C2	C4	H10	110.433
C2	C4	H12	110.371	C2	C4	H13	110.371
C3	C5	H11	110.433	C3	C5	H14	110.371
C3	C5	H15	110.371	C4	C2	H6	110.969
C4	C2	H7	110.969	C5	C3	H8	110.969
C5	C3	H9	110.969	H6	C2	H7	108.050
H8	C3	H9	108.050	H10	C4	H12	108.658
H10	C4	H13	108.658	H11	C5	H14	108.658
H11	C5	H15	108.658	H12	C4	H13	108.291
H14	C5	H15	108.291

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

using model chemistry: B3LYP/CEP-121G

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	-0.279
2	C	-0.094
3	C	-0.094
4	C	-0.447
5	C	-0.447
6	H	0.115
7	H	0.115
8	H	0.115
9	H	0.115
10	H	0.135
11	H	0.135
12	H	0.157
13	H	0.157
14	H	0.157
15	H	0.157

<r²>	151.778
(<r²>)^1/2	12.320

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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