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	hartrees
Energy at 0K	-43.354869
Energy at 298.15K	-43.366209
Nuclear repulsion energy	109.477611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3297	2972	120.60
2	A₁	3221	2903	4.28
3	A₁	3194	2879	175.31
4	A₁	1674	1509	1.04
5	A₁	1636	1475	9.05
6	A₁	1587	1430	2.20
7	A₁	1549	1396	1.14
8	A₁	1272	1147	19.45
9	A₁	1135	1023	14.16
10	A₁	912	822	11.03
11	A₁	449	405	0.29
12	A₁	193	174	1.30
13	A₂	3315	2989	0.00
14	A₂	3231	2913	0.00
15	A₂	1618	1458	0.00
16	A₂	1400	1262	0.00
17	A₂	1271	1145	0.00
18	A₂	887	799	0.00
19	A₂	252	227	0.00
20	A₂	90	82	0.00
21	B₁	3317	2990	201.43
22	B₁	3237	2918	174.66
23	B₁	1618	1459	10.82
24	B₁	1407	1268	2.28
25	B₁	1297	1169	23.28
26	B₁	901	812	1.21
27	B₁	260	234	3.73
28	B₁	107	97	11.00
29	B₂	3296	2971	60.34
30	B₂	3217	2900	112.10
31	B₂	3184	2870	1.95
32	B₂	1661	1497	4.59
33	B₂	1635	1473	1.34
34	B₂	1560	1407	30.63
35	B₂	1515	1366	62.22
36	B₂	1246	1123	215.62
37	B₂	1202	1083	3.46
38	B₂	1023	923	9.46
39	B₂	446	402	5.02

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.218
C2	0.000	1.223	-0.542
C3	0.000	-1.223	-0.542
C4	0.000	2.391	0.448
C5	0.000	-2.391	0.448
H6	0.884	1.254	-1.184
H7	-0.884	1.254	-1.184
H8	0.884	-1.254	-1.184
H9	-0.884	-1.254	-1.184
H10	0.000	3.345	-0.083
H11	0.000	-3.345	-0.083
H12	-0.882	2.344	1.084
H13	0.882	2.344	1.084
H14	0.882	-2.344	1.084
H15	-0.882	-2.344	1.084

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4396	1.4396	2.4024	2.4024	2.0782	2.0782	2.0782	2.0782	3.3588	3.3588	2.6502	2.6502	2.6502	2.6502
C2	1.4396		2.4455	1.5315	3.7472	1.0932	1.0932	2.7068	2.7068	2.1717	4.5911	2.1632	2.1632	4.0180	4.0180
C3	1.4396	2.4455		3.7472	1.5315	2.7068	2.7068	1.0932	1.0932	4.5911	2.1717	4.0180	4.0180	2.1632	2.1632
C4	2.4024	1.5315	3.7472		4.7828	2.1769	2.1769	4.0904	4.0904	1.0917	5.7612	1.0887	1.0887	4.8588	4.8588
C5	2.4024	3.7472	1.5315	4.7828		4.0904	4.0904	2.1769	2.1769	5.7612	1.0917	4.8588	4.8588	1.0887	1.0887
H6	2.0782	1.0932	2.7068	2.1769	4.0904		1.7687	2.5074	3.0685	2.5237	4.8109	3.0746	2.5163	4.2529	4.6053
H7	2.0782	1.0932	2.7068	2.1769	4.0904	1.7687		3.0685	2.5074	2.5237	4.8109	2.5163	3.0746	4.6053	4.2529
H8	2.0782	2.7068	1.0932	4.0904	2.1769	2.5074	3.0685		1.7687	4.8109	2.5237	4.6053	4.2529	2.5163	3.0746
H9	2.0782	2.7068	1.0932	4.0904	2.1769	3.0685	2.5074	1.7687		4.8109	2.5237	4.2529	4.6053	3.0746	2.5163
H10	3.3588	2.1717	4.5911	1.0917	5.7612	2.5237	2.5237	4.8109	4.8109		6.6907	1.7728	1.7728	5.8745	5.8745
H11	3.3588	4.5911	2.1717	5.7612	1.0917	4.8109	4.8109	2.5237	2.5237	6.6907		5.8745	5.8745	1.7728	1.7728
H12	2.6502	2.1632	4.0180	1.0887	4.8588	3.0746	2.5163	4.6053	4.2529	1.7728	5.8745		1.7647	5.0093	4.6882
H13	2.6502	2.1632	4.0180	1.0887	4.8588	2.5163	3.0746	4.2529	4.6053	1.7728	5.8745	1.7647		4.6882	5.0093
H14	2.6502	4.0180	2.1632	4.8588	1.0887	4.2529	4.6053	2.5163	3.0746	5.8745	1.7728	5.0093	4.6882		1.7647
H15	2.6502	4.0180	2.1632	4.8588	1.0887	4.6053	4.2529	3.0746	2.5163	5.8745	1.7728	4.6882	5.0093	1.7647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	107.877	O1	C2	H6	109.511
O1	C2	H7	109.511	O1	C3	C5	107.877
O1	C3	H8	109.511	O1	C3	H9	109.511
C2	O1	C3	116.283	C2	C4	H10	110.640
C2	C4	H12	110.149	C2	C4	H13	110.149
C3	C5	H11	110.640	C3	C5	H14	110.149
C3	C5	H15	110.149	C4	C2	H6	110.970
C4	C2	H7	110.970	C5	C3	H8	110.970
C5	C3	H9	110.970	H6	C2	H7	107.991
H8	C3	H9	107.991	H10	C4	H12	108.787
H10	C4	H13	108.787	H11	C5	H14	108.787
H11	C5	H15	108.787	H12	C4	H13	108.273
H14	C5	H15	108.273

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

using model chemistry: HF/CEP-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	-0.456
2	C	-0.071
3	C	-0.071
4	C	-0.186
5	C	-0.186
6	H	0.087
7	H	0.087
8	H	0.087
9	H	0.087
10	H	0.090
11	H	0.090
12	H	0.110
13	H	0.110
14	H	0.110
15	H	0.110

<r²>	149.164
(<r²>)^1/2	12.213

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

using model chemistry: HF/CEP-31G

States and conformations

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