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	hartrees
Energy at 0K	-43.366899
Energy at 298.15K	-43.378276
HF Energy	-43.366899
Nuclear repulsion energy	109.677768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3241	2957	83.97
2	A₁	3157	2880	2.05
3	A₁	3131	2857	142.66
4	A₁	1674	1528	1.09
5	A₁	1638	1495	7.37
6	A₁	1579	1441	3.64
7	A₁	1546	1411	1.04
8	A₁	1271	1160	18.54
9	A₁	1132	1033	13.23
10	A₁	911	831	11.63
11	A₁	450	410	0.32
12	A₁	194	177	1.11
13	A₂	3260	2975	0.00
14	A₂	3171	2893	0.00
15	A₂	1620	1478	0.00
16	A₂	1396	1274	0.00
17	A₂	1270	1159	0.00
18	A₂	886	808	0.00
19	A₂	251	229	0.00
20	A₂	89	81	0.00
21	B₁	3261	2975	137.83
22	B₁	3177	2899	135.55
23	B₁	1621	1479	11.18
24	B₁	1406	1283	3.97
25	B₁	1297	1184	19.66
26	B₁	901	822	0.25
27	B₁	259	236	3.09
28	B₁	107	97	9.84
29	B₂	3240	2957	43.28
30	B₂	3154	2878	79.67
31	B₂	3120	2847	1.01
32	B₂	1661	1515	4.38
33	B₂	1636	1493	1.90
34	B₂	1556	1420	25.57
35	B₂	1508	1376	69.77
36	B₂	1242	1133	229.18
37	B₂	1198	1093	6.95
38	B₂	1018	929	10.52
39	B₂	449	410	4.00

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.221
C2	0.000	1.222	-0.538
C3	0.000	-1.222	-0.538
C4	0.000	2.391	0.445
C5	0.000	-2.391	0.445
H6	0.882	1.253	-1.178
H7	-0.882	1.253	-1.178
H8	0.882	-1.253	-1.178
H9	-0.882	-1.253	-1.178
H10	0.000	3.338	-0.090
H11	0.000	-3.338	-0.090
H12	-0.879	2.349	1.079
H13	0.879	2.349	1.079
H14	0.879	-2.349	1.079
H15	-0.879	-2.349	1.079

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4388	1.4388	2.4011	2.4011	2.0751	2.0751	2.0751	2.0751	3.3526	3.3526	2.6509	2.6509	2.6509	2.6509
C2	1.4388		2.4446	1.5266	3.7442	1.0904	1.0904	2.7046	2.7046	2.1628	4.5824	2.1579	2.1579	4.0177	4.0177
C3	1.4388	2.4446		3.7442	1.5266	2.7046	2.7046	1.0904	1.0904	4.5824	2.1628	4.0177	4.0177	2.1579	2.1579
C4	2.4011	1.5266	3.7442		4.7814	2.1693	2.1693	4.0850	4.0850	1.0877	5.7537	1.0849	1.0849	4.8623	4.8623
C5	2.4011	3.7442	1.5266	4.7814		4.0850	4.0850	2.1693	2.1693	5.7537	1.0877	4.8623	4.8623	1.0849	1.0849
H6	2.0751	1.0904	2.7046	2.1693	4.0850		1.7643	2.5059	3.0647	2.5121	4.8001	3.0655	2.5089	4.2507	4.6012
H7	2.0751	1.0904	2.7046	2.1693	4.0850	1.7643		3.0647	2.5059	2.5121	4.8001	2.5089	3.0655	4.6012	4.2507
H8	2.0751	2.7046	1.0904	4.0850	2.1693	2.5059	3.0647		1.7643	4.8001	2.5121	4.6012	4.2507	2.5089	3.0655
H9	2.0751	2.7046	1.0904	4.0850	2.1693	3.0647	2.5059	1.7643		4.8001	2.5121	4.2507	4.6012	3.0655	2.5089
H10	3.3526	2.1628	4.5824	1.0877	5.7537	2.5121	2.5121	4.8001	4.8001		6.6763	1.7653	1.7653	5.8723	5.8723
H11	3.3526	4.5824	2.1628	5.7537	1.0877	4.8001	4.8001	2.5121	2.5121	6.6763		5.8723	5.8723	1.7653	1.7653
H12	2.6509	2.1579	4.0177	1.0849	4.8623	3.0655	2.5089	4.6012	4.2507	1.7653	5.8723		1.7586	5.0167	4.6983
H13	2.6509	2.1579	4.0177	1.0849	4.8623	2.5089	3.0655	4.2507	4.6012	1.7653	5.8723	1.7586		4.6983	5.0167
H14	2.6509	4.0177	2.1579	4.8623	1.0849	4.2507	4.6012	2.5089	3.0655	5.8723	1.7653	5.0167	4.6983		1.7586
H15	2.6509	4.0177	2.1579	4.8623	1.0849	4.6012	4.2507	3.0655	2.5089	5.8723	1.7653	4.6983	5.0167	1.7586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.096	O1	C2	H6	109.487
O1	C2	H7	109.487	O1	C3	C5	108.096
O1	C3	H8	109.487	O1	C3	H9	109.487
C2	O1	C3	116.316	C2	C4	H10	110.519
C2	C4	H12	110.295	C2	C4	H13	110.295
C3	C5	H11	110.519	C3	C5	H14	110.295
C3	C5	H15	110.295	C4	C2	H6	110.876
C4	C2	H7	110.876	C5	C3	H8	110.876
C5	C3	H9	110.876	H6	C2	H7	108.006
H8	C3	H9	108.006	H10	C4	H12	108.689
H10	C4	H13	108.689	H11	C5	H14	108.689
H11	C5	H15	108.689	H12	C4	H13	108.295
H14	C5	H15	108.295

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

using model chemistry: HF/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	-0.448
2	C	-0.003
3	C	-0.003
4	C	-0.430
5	C	-0.430
6	H	0.111
7	H	0.111
8	H	0.111
9	H	0.111
10	H	0.131
11	H	0.131
12	H	0.152
13	H	0.152
14	H	0.152
15	H	0.152

<r²>	149.150
(<r²>)^1/2	12.213

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

using model chemistry: HF/CEP-121G

States and conformations

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