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	hartrees
Energy at 0K	-44.584892
Energy at 298.15K	-44.595959
HF Energy	-44.584892
Nuclear repulsion energy	109.250173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3120	3013	70.92
2	A₁	3052	2947	4.66
3	A₁	2978	2876	150.68
4	A₁	1536	1484	1.50
5	A₁	1499	1448	5.07
6	A₁	1453	1403	2.94
7	A₁	1394	1346	0.90
8	A₁	1170	1130	23.30
9	A₁	1047	1011	12.31
10	A₁	850	820	5.35
11	A₁	431	416	0.05
12	A₁	191	184	0.99
13	A₂	3130	3022	0.00
14	A₂	3003	2900	0.00
15	A₂	1483	1432	0.00
16	A₂	1284	1240	0.00
17	A₂	1157	1118	0.00
18	A₂	799	771	0.00
19	A₂	247	238	0.00
20	A₂	101	97	0.00
21	B₁	3130	3023	106.09
22	B₁	3002	2899	163.71
23	B₁	1483	1432	11.47
24	B₁	1290	1246	1.76
25	B₁	1185	1144	12.24
26	B₁	813	785	3.28
27	B₁	252	243	1.83
28	B₁	109	106	5.36
29	B₂	3120	3013	34.58
30	B₂	3051	2946	53.36
31	B₂	2965	2863	15.76
32	B₂	1517	1465	2.84
33	B₂	1496	1445	1.95
34	B₂	1415	1366	46.75
35	B₂	1372	1325	38.85
36	B₂	1146	1107	203.79
37	B₂	1088	1051	5.92
38	B₂	934	902	4.31
39	B₂	419	405	3.36

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.274
C2	0.000	1.188	-0.524
C3	0.000	-1.188	-0.524
C4	0.000	2.405	0.418
C5	0.000	-2.405	0.418
H6	0.896	1.206	-1.182
H7	-0.896	1.206	-1.182
H8	0.896	-1.206	-1.182
H9	-0.896	-1.206	-1.182
H10	0.000	3.343	-0.165
H11	0.000	-3.343	-0.165
H12	-0.895	2.390	1.064
H13	0.895	2.390	1.064
H14	0.895	-2.390	1.064
H15	-0.895	-2.390	1.064

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4313	1.4313	2.4093	2.4093	2.0919	2.0919	2.0919	2.0919	3.3720	3.3720	2.6718	2.6718	2.6718	2.6718
C2	1.4313		2.3769	1.5386	3.7148	1.1119	1.1119	2.6396	2.6396	2.1845	4.5459	2.1831	2.1831	4.0162	4.0162
C3	1.4313	2.3769		3.7148	1.5386	2.6396	2.6396	1.1119	1.1119	4.5459	2.1845	4.0162	4.0162	2.1831	2.1831
C4	2.4093	1.5386	3.7148		4.8099	2.1916	2.1916	4.0497	4.0497	1.1051	5.7778	1.1034	1.1034	4.9206	4.9206
C5	2.4093	3.7148	1.5386	4.8099		4.0497	4.0497	2.1916	2.1916	5.7778	1.1051	4.9206	4.9206	1.1034	1.1034
H6	2.0919	1.1119	2.6396	2.1916	4.0497		1.7915	2.4111	3.0038	2.5311	4.7464	3.1073	2.5396	4.2399	4.6024
H7	2.0919	1.1119	2.6396	2.1916	4.0497	1.7915		3.0038	2.4111	2.5311	4.7464	2.5396	3.1073	4.6024	4.2399
H8	2.0919	2.6396	1.1119	4.0497	2.1916	2.4111	3.0038		1.7915	4.7464	2.5311	4.6024	4.2399	2.5396	3.1073
H9	2.0919	2.6396	1.1119	4.0497	2.1916	3.0038	2.4111	1.7915		4.7464	2.5311	4.2399	4.6024	3.1073	2.5396
H10	3.3720	2.1845	4.5459	1.1051	5.7778	2.5311	2.5311	4.7464	4.7464		6.6866	1.7943	1.7943	5.9319	5.9319
H11	3.3720	4.5459	2.1845	5.7778	1.1051	4.7464	4.7464	2.5311	2.5311	6.6866		5.9319	5.9319	1.7943	1.7943
H12	2.6718	2.1831	4.0162	1.1034	4.9206	3.1073	2.5396	4.6024	4.2399	1.7943	5.9319		1.7893	5.1047	4.7808
H13	2.6718	2.1831	4.0162	1.1034	4.9206	2.5396	3.1073	4.2399	4.6024	1.7943	5.9319	1.7893		4.7808	5.1047
H14	2.6718	4.0162	2.1831	4.9206	1.1034	4.2399	4.6024	2.5396	3.1073	5.9319	1.7943	5.1047	4.7808		1.7893
H15	2.6718	4.0162	2.1831	4.9206	1.1034	4.6024	4.2399	3.1073	2.5396	5.9319	1.7943	4.7808	5.1047	1.7893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.377	O1	C2	H6	110.049
O1	C2	H7	110.049	O1	C3	C5	108.377
O1	C3	H8	110.049	O1	C3	H9	110.049
C2	O1	C3	112.266	C2	C4	H10	110.362
C2	C4	H12	110.357	C2	C4	H13	110.357
C3	C5	H11	110.362	C3	C5	H14	110.357
C3	C5	H15	110.357	C4	C2	H6	110.518
C4	C2	H7	110.518	C5	C3	H8	110.518
C5	C3	H9	110.518	H6	C2	H7	107.335
H8	C3	H9	107.335	H10	C4	H12	108.675
H10	C4	H13	108.675	H11	C5	H14	108.675
H11	C5	H15	108.675	H12	C4	H13	108.359
H14	C5	H15	108.359

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

using model chemistry: B3LYP/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	-0.226
2	C	-0.259
3	C	-0.259
4	C	-0.292
5	C	-0.292
6	H	0.117
7	H	0.117
8	H	0.117
9	H	0.117
10	H	0.135
11	H	0.135
12	H	0.148
13	H	0.148
14	H	0.148
15	H	0.148

<r²>	148.990
(<r²>)^1/2	12.206

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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