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	hartrees
Energy at 0K	-233.719138
Energy at 298.15K	-233.730331
HF Energy	-233.719138
Nuclear repulsion energy	189.605701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3106	3001	51.02
2	A₁	3040	2938	8.89
3	A₁	2966	2866	125.68
4	A₁	1555	1502	2.10
5	A₁	1520	1469	3.85
6	A₁	1464	1415	5.73
7	A₁	1417	1369	1.69
8	A₁	1186	1146	19.44
9	A₁	1053	1018	12.29
10	A₁	862	833	9.39
11	A₁	440	426	0.04
12	A₁	194	188	0.49
13	A₂	3110	3005	0.00
14	A₂	2980	2879	0.00
15	A₂	1501	1450	0.00
16	A₂	1307	1263	0.00
17	A₂	1180	1140	0.00
18	A₂	825	797	0.00
19	A₂	253	244	0.00
20	A₂	103	99	0.00
21	B₁	3110	3005	80.27
22	B₁	2979	2878	147.42
23	B₁	1501	1451	14.73
24	B₁	1314	1270	4.29
25	B₁	1210	1169	12.46
26	B₁	838	810	0.44
27	B₁	259	250	1.74
28	B₁	107	103	4.20
29	B₂	3105	3001	25.21
30	B₂	3040	2937	37.28
31	B₂	2952	2853	10.20
32	B₂	1536	1485	2.55
33	B₂	1517	1466	4.04
34	B₂	1427	1379	39.37
35	B₂	1395	1348	36.35
36	B₂	1155	1116	210.12
37	B₂	1102	1065	16.00
38	B₂	949	917	6.19
39	B₂	435	420	3.17

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.255
C2	0.000	1.184	-0.522
C3	0.000	-1.184	-0.522
C4	0.000	2.377	0.416
C5	0.000	-2.377	0.416
H6	0.886	1.205	-1.176
H7	-0.886	1.205	-1.176
H8	0.886	-1.205	-1.176
H9	-0.886	-1.205	-1.176
H10	0.000	3.313	-0.148
H11	0.000	-3.313	-0.148
H12	-0.884	2.359	1.058
H13	0.884	2.359	1.058
H14	0.884	-2.359	1.058
H15	-0.884	-2.359	1.058

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4164	1.4164	2.3820	2.3820	2.0704	2.0704	2.0704	2.0704	3.3377	3.3377	2.6444	2.6444	2.6444	2.6444
C2	1.4164		2.3685	1.5172	3.6823	1.1016	1.1016	2.6313	2.6313	2.1617	4.5131	2.1583	2.1583	3.9793	3.9793
C3	1.4164	2.3685		3.6823	1.5172	2.6313	2.6313	1.1016	1.1016	4.5131	2.1617	3.9793	3.9793	2.1583	2.1583
C4	2.3820	1.5172	3.6823		4.7530	2.1664	2.1664	4.0189	4.0189	1.0935	5.7177	1.0925	1.0925	4.8602	4.8602
C5	2.3820	3.6823	1.5172	4.7530		4.0189	4.0189	2.1664	2.1664	5.7177	1.0935	4.8602	4.8602	1.0925	1.0925
H6	2.0704	1.1016	2.6313	2.1664	4.0189		1.7719	2.4108	2.9919	2.5073	4.7182	3.0751	2.5145	4.2070	4.5642
H7	2.0704	1.1016	2.6313	2.1664	4.0189	1.7719		2.9919	2.4108	2.5073	4.7182	2.5145	3.0751	4.5642	4.2070
H8	2.0704	2.6313	1.1016	4.0189	2.1664	2.4108	2.9919		1.7719	4.7182	2.5073	4.5642	4.2070	2.5145	3.0751
H9	2.0704	2.6313	1.1016	4.0189	2.1664	2.9919	2.4108	1.7719		4.7182	2.5073	4.2070	4.5642	3.0751	2.5145
H10	3.3377	2.1617	4.5131	1.0935	5.7177	2.5073	2.5073	4.7182	4.7182		6.6266	1.7734	1.7734	5.8663	5.8663
H11	3.3377	4.5131	2.1617	5.7177	1.0935	4.7182	4.7182	2.5073	2.5073	6.6266		5.8663	5.8663	1.7734	1.7734
H12	2.6444	2.1583	3.9793	1.0925	4.8602	3.0751	2.5145	4.5642	4.2070	1.7734	5.8663		1.7684	5.0392	4.7187
H13	2.6444	2.1583	3.9793	1.0925	4.8602	2.5145	3.0751	4.2070	4.5642	1.7734	5.8663	1.7684		4.7187	5.0392
H14	2.6444	3.9793	2.1583	4.8602	1.0925	4.2070	4.5642	2.5145	3.0751	5.8663	1.7734	5.0392	4.7187		1.7684
H15	2.6444	3.9793	2.1583	4.8602	1.0925	4.5642	4.2070	3.0751	2.5145	5.8663	1.7734	4.7187	5.0392	1.7684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.527	O1	C2	H6	109.992
O1	C2	H7	109.992	O1	C3	C5	108.527
O1	C3	H8	109.992	O1	C3	H9	109.992
C2	O1	C3	113.465	C2	C4	H10	110.743
C2	C4	H12	110.534	C2	C4	H13	110.534
C3	C5	H11	110.743	C3	C5	H14	110.534
C3	C5	H15	110.534	C4	C2	H6	110.628
C4	C2	H7	110.628	C5	C3	H8	110.628
C5	C3	H9	110.628	H6	C2	H7	107.073
H8	C3	H9	107.073	H10	C4	H12	108.439
H10	C4	H13	108.439	H11	C5	H14	108.439
H11	C5	H15	108.439	H12	C4	H13	108.068
H14	C5	H15	108.068

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

using model chemistry: B3LYP/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	ESP
1	O	-0.341	-0.436
2	C	-0.181	0.357
3	C	-0.181	0.357
4	C	-0.624	-0.300
5	C	-0.624	-0.300
6	H	0.175	-0.036
7	H	0.175	-0.038
8	H	0.175	-0.036
9	H	0.175	-0.038
10	H	0.201	0.069
11	H	0.201	0.069
12	H	0.212	0.084
13	H	0.212	0.082
14	H	0.212	0.082
15	H	0.212	0.084

	x	y	z	Total
	0.000	0.000	-1.111	1.111
CHELPG
AIM
ESP	0.011	0.000	-1.099	1.099

<r²>	177.358
(<r²>)^1/2	13.318

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

using model chemistry: B3LYP/6-311G*

States and conformations

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