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	hartrees
Energy at 0K	-233.539507
Energy at 298.15K	-233.550713
HF Energy	-233.232376
Nuclear repulsion energy	190.167965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	3007	36.08
2	A₁	3061	2937	6.32
3	A₁	2988	2867	108.26
4	A₁	1550	1487	1.53
5	A₁	1516	1454	3.45
6	A₁	1461	1401	6.62
7	A₁	1414	1356	0.86
8	A₁	1187	1139	17.95
9	A₁	1065	1022	12.09
10	A₁	862	827	8.16
11	A₁	441	423	0.09
12	A₁	194	186	0.55
13	A₂	3139	3012	0.00
14	A₂	3011	2889	0.00
15	A₂	1498	1437	0.00
16	A₂	1305	1252	0.00
17	A₂	1179	1131	0.00
18	A₂	823	790	0.00
19	A₂	247	237	0.00
20	A₂	102	98	0.00
21	B₁	3139	3012	54.88
22	B₁	3008	2886	114.13
23	B₁	1498	1437	11.59
24	B₁	1311	1258	4.21
25	B₁	1210	1161	10.98
26	B₁	836	802	0.46
27	B₁	252	242	1.56
28	B₁	108	104	3.84
29	B₂	3134	3006	16.37
30	B₂	3061	2936	31.00
31	B₂	2978	2857	9.89
32	B₂	1533	1470	2.09
33	B₂	1513	1452	2.36
34	B₂	1423	1365	29.13
35	B₂	1391	1334	34.37
36	B₂	1162	1115	206.62
37	B₂	1107	1062	8.20
38	B₂	953	914	5.96
39	B₂	434	417	2.77

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.326
C2	0.000	1.195	-0.524
C3	0.000	-1.195	-0.524
C4	0.000	2.412	0.385
C5	0.000	-2.412	0.385
H6	0.869	1.180	-1.134
H7	-0.869	1.180	-1.134
H8	0.869	-1.180	-1.134
H9	-0.869	-1.180	-1.134
H10	0.000	3.295	-0.210
H11	0.000	-3.295	-0.210
H12	-0.869	2.398	1.006
H13	0.869	2.398	1.006
H14	0.869	-2.398	1.006
H15	-0.869	-2.398	1.006

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4663	1.4663	2.4125	2.4125	2.0692	2.0692	2.0692	2.0692	3.3384	3.3384	2.6397	2.6397	2.6397	2.6397
C2	1.4663		2.3891	1.5193	3.7192	1.0623	1.0623	2.6013	2.6013	2.1239	4.5006	2.1316	2.1316	4.0003	4.0003
C3	1.4663	2.3891		3.7192	1.5193	2.6013	2.6013	1.0623	1.0623	4.5006	2.1239	4.0003	4.0003	2.1316	2.1316
C4	2.4125	1.5193	3.7192		4.8236	2.1405	2.1405	3.9957	3.9957	1.0650	5.7378	1.0678	1.0678	4.9270	4.9270
C5	2.4125	3.7192	1.5193	4.8236		3.9957	3.9957	2.1405	2.1405	5.7378	1.0650	4.9270	4.9270	1.0678	1.0678
H6	2.0692	1.0623	2.6013	2.1405	3.9957		1.7388	2.3600	2.9314	2.4665	4.6515	3.0141	2.4624	4.1693	4.5171
H7	2.0692	1.0623	2.6013	2.1405	3.9957	1.7388		2.9314	2.3600	2.4665	4.6515	2.4624	3.0141	4.5171	4.1693
H8	2.0692	2.6013	1.0623	3.9957	2.1405	2.3600	2.9314		1.7388	4.6515	2.4665	4.5171	4.1693	2.4624	3.0141
H9	2.0692	2.6013	1.0623	3.9957	2.1405	2.9314	2.3600	1.7388		4.6515	2.4665	4.1693	4.5171	3.0141	2.4624
H10	3.3384	2.1239	4.5006	1.0650	5.7378	2.4665	2.4665	4.6515	4.6515		6.5901	1.7427	1.7427	5.8860	5.8860
H11	3.3384	4.5006	2.1239	5.7378	1.0650	4.6515	4.6515	2.4665	2.4665	6.5901		5.8860	5.8860	1.7427	1.7427
H12	2.6397	2.1316	4.0003	1.0678	4.9270	3.0141	2.4624	4.5171	4.1693	1.7427	5.8860		1.7377	5.1014	4.7963
H13	2.6397	2.1316	4.0003	1.0678	4.9270	2.4624	3.0141	4.1693	4.5171	1.7427	5.8860	1.7377		4.7963	5.1014
H14	2.6397	4.0003	2.1316	4.9270	1.0678	4.1693	4.5171	2.4624	3.0141	5.8860	1.7427	5.1014	4.7963		1.7377
H15	2.6397	4.0003	2.1316	4.9270	1.0678	4.5171	4.1693	3.0141	2.4624	5.8860	1.7427	4.7963	5.1014	1.7377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	107.798	O1	C2	H6	108.783
O1	C2	H7	108.783	O1	C3	C5	107.798
O1	C3	H8	108.783	O1	C3	H9	108.783
C2	O1	C3	109.110	C2	C4	H10	109.279
C2	C4	H12	109.729	C2	C4	H13	109.729
C3	C5	H11	109.279	C3	C5	H14	109.729
C3	C5	H15	109.729	C4	C2	H6	110.776
C4	C2	H7	110.776	C5	C3	H8	110.776
C5	C3	H9	110.776	H6	C2	H7	109.857
H8	C3	H9	109.857	H10	C4	H12	109.589
H10	C4	H13	109.589	H11	C5	H14	109.589
H11	C5	H15	109.589	H12	C4	H13	108.913
H14	C5	H15	108.913

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

using model chemistry: B2PLYP/cc-pVTZ

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	-0.333
2	C	0.052
3	C	0.052
4	C	-0.283
5	C	-0.283
6	H	0.055
7	H	0.055
8	H	0.055
9	H	0.055
10	H	0.086
11	H	0.086
12	H	0.100
13	H	0.100
14	H	0.100
15	H	0.100

<r²>	176.338
(<r²>)^1/2	13.279

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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