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	hartrees
Energy at 0K	-232.207730
Energy at 298.15K	-232.219222
HF Energy	-232.207730
Nuclear repulsion energy	191.094175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3233	2937	70.44
2	A₁	3170	2880	2.39
3	A₁	3129	2843	125.44
4	A₁	1664	1512	0.89
5	A₁	1621	1472	6.29
6	A₁	1592	1446	2.93
7	A₁	1523	1383	0.35
8	A₁	1291	1173	31.00
9	A₁	1134	1030	10.92
10	A₁	937	852	10.20
11	A₁	467	425	0.18
12	A₁	204	186	0.55
13	A₂	3243	2946	0.00
14	A₂	3142	2854	0.00
15	A₂	1598	1452	0.00
16	A₂	1409	1280	0.00
17	A₂	1274	1158	0.00
18	A₂	875	795	0.00
19	A₂	271	246	0.00
20	A₂	95	86	0.00
21	B₁	3243	2946	111.55
22	B₁	3148	2860	137.59
23	B₁	1599	1452	9.67
24	B₁	1420	1291	6.94
25	B₁	1305	1185	14.32
26	B₁	891	810	0.00
27	B₁	282	256	2.26
28	B₁	115	104	5.39
29	B₂	3232	2936	34.27
30	B₂	3168	2879	51.37
31	B₂	3114	2829	4.05
32	B₂	1645	1495	4.00
33	B₂	1617	1469	0.01
34	B₂	1547	1405	69.79
35	B₂	1507	1369	33.67
36	B₂	1287	1170	254.92
37	B₂	1185	1077	3.86
38	B₂	1010	917	4.42
39	B₂	463	421	2.78

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.232
C2	0.000	1.175	-0.521
C3	0.000	-1.175	-0.521
C4	0.000	2.359	0.424
C5	0.000	-2.359	0.424
H6	0.879	1.206	-1.166
H7	-0.879	1.206	-1.166
H8	0.879	-1.206	-1.166
H9	-0.879	-1.206	-1.166
H10	0.000	3.291	-0.134
H11	0.000	-3.291	-0.134
H12	-0.879	2.336	1.059
H13	0.879	2.336	1.059
H14	0.879	-2.336	1.059
H15	-0.879	-2.336	1.059

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.3955	1.3955	2.3673	2.3673	2.0446	2.0446	2.0446	2.0446	3.3116	3.3116	2.6296	2.6296	2.6296	2.6296
C2	1.3955		2.3508	1.5147	3.6590	1.0909	1.0909	2.6192	2.6192	2.1509	4.4834	2.1483	2.1483	3.9495	3.9495
C3	1.3955	2.3508		3.6590	1.5147	2.6192	2.6192	1.0909	1.0909	4.4834	2.1509	3.9495	3.9495	2.1483	2.1483
C4	2.3673	1.5147	3.6590		4.7190	2.1522	2.1522	4.0017	4.0017	1.0863	5.6783	1.0848	1.0848	4.8191	4.8191
C5	2.3673	3.6590	1.5147	4.7190		4.0017	4.0017	2.1522	2.1522	5.6783	1.0863	4.8191	4.8191	1.0848	1.0848
H6	2.0446	1.0909	2.6192	2.1522	4.0017		1.7576	2.4119	2.9844	2.4871	4.6970	3.0528	2.4958	4.1829	4.5374
H7	2.0446	1.0909	2.6192	2.1522	4.0017	1.7576		2.9844	2.4119	2.4871	4.6970	2.4958	3.0528	4.5374	4.1829
H8	2.0446	2.6192	1.0909	4.0017	2.1522	2.4119	2.9844		1.7576	4.6970	2.4871	4.5374	4.1829	2.4958	3.0528
H9	2.0446	2.6192	1.0909	4.0017	2.1522	2.9844	2.4119	1.7576		4.6970	2.4871	4.1829	4.5374	3.0528	2.4958
H10	3.3116	2.1509	4.4834	1.0863	5.6783	2.4871	2.4871	4.6970	4.6970		6.5826	1.7635	1.7635	5.8192	5.8192
H11	3.3116	4.4834	2.1509	5.6783	1.0863	4.6970	4.6970	2.4871	2.4871	6.5826		5.8192	5.8192	1.7635	1.7635
H12	2.6296	2.1483	3.9495	1.0848	4.8191	3.0528	2.4958	4.5374	4.1829	1.7635	5.8192		1.7585	4.9919	4.6720
H13	2.6296	2.1483	3.9495	1.0848	4.8191	2.4958	3.0528	4.1829	4.5374	1.7635	5.8192	1.7585		4.6720	4.9919
H14	2.6296	3.9495	2.1483	4.8191	1.0848	4.1829	4.5374	2.4958	3.0528	5.8192	1.7635	4.9919	4.6720		1.7585
H15	2.6296	3.9495	2.1483	4.8191	1.0848	4.5374	4.1829	3.0528	2.4958	5.8192	1.7635	4.6720	4.9919	1.7585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.801	O1	C2	H6	110.033
O1	C2	H7	110.033	O1	C3	C5	108.801
O1	C3	H8	110.033	O1	C3	H9	110.033
C2	O1	C3	114.769	C2	C4	H10	110.483
C2	C4	H12	110.371	C2	C4	H13	110.371
C3	C5	H11	110.483	C3	C5	H14	110.371
C3	C5	H15	110.371	C4	C2	H6	110.317
C4	C2	H7	110.317	C5	C3	H8	110.317
C5	C3	H9	110.317	H6	C2	H7	107.332
H8	C3	H9	107.332	H10	C4	H12	108.631
H10	C4	H13	108.631	H11	C5	H14	108.631
H11	C5	H15	108.631	H12	C4	H13	108.291
H14	C5	H15	108.291

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

using model chemistry: HF/6-311G**

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	-0.478
2	C	0.092
3	C	0.092
4	C	-0.250
5	C	-0.250
6	H	0.062
7	H	0.062
8	H	0.062
9	H	0.062
10	H	0.082
11	H	0.082
12	H	0.096
13	H	0.096
14	H	0.096
15	H	0.096

<r²>	175.019
(<r²>)^1/2	13.229

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

using model chemistry: HF/6-311G**

States and conformations

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