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	hartrees
Energy at 0K	-233.442439
Energy at 298.15K	-233.453461
HF Energy	-233.442439
Nuclear repulsion energy	189.105388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3053	3016	31.21
2	A₁	2979	2943	8.87
3	A₁	2885	2850	113.27
4	A₁	1480	1462	2.60
5	A₁	1450	1432	3.11
6	A₁	1392	1376	6.99
7	A₁	1351	1335	1.01
8	A₁	1140	1126	17.10
9	A₁	1033	1020	13.88
10	A₁	829	819	6.07
11	A₁	428	423	0.01
12	A₁	188	186	0.63
13	A₂	3055	3018	0.00
14	A₂	2903	2868	0.00
15	A₂	1431	1414	0.00
16	A₂	1248	1232	0.00
17	A₂	1126	1112	0.00
18	A₂	792	782	0.00
19	A₂	238	235	0.00
20	A₂	109	108	0.00
21	B₁	3055	3018	48.84
22	B₁	2898	2863	120.38
23	B₁	1431	1414	12.91
24	B₁	1252	1236	3.63
25	B₁	1156	1142	10.57
26	B₁	802	792	1.28
27	B₁	241	238	1.08
28	B₁	104	103	3.50
29	B₂	3053	3016	12.81
30	B₂	2979	2943	27.76
31	B₂	2874	2839	12.81
32	B₂	1463	1445	1.29
33	B₂	1446	1429	3.49
34	B₂	1359	1342	26.26
35	B₂	1327	1311	29.03
36	B₂	1114	1100	207.61
37	B₂	1066	1053	8.56
38	B₂	921	909	6.37
39	B₂	422	417	3.01

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.333
C2	0.000	1.202	-0.524
C3	0.000	-1.202	-0.524
C4	0.000	2.426	0.382
C5	0.000	-2.426	0.382
H6	0.871	1.189	-1.135
H7	-0.871	1.189	-1.135
H8	0.871	-1.189	-1.135
H9	-0.871	-1.189	-1.135
H10	0.000	3.308	-0.218
H11	0.000	-3.308	-0.218
H12	-0.871	2.416	1.004
H13	0.871	2.416	1.004
H14	0.871	-2.416	1.004
H15	-0.871	-2.416	1.004

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4761	1.4761	2.4269	2.4269	2.0796	2.0796	2.0796	2.0796	3.3535	3.3535	2.6541	2.6541	2.6541	2.6541
C2	1.4761		2.4047	1.5225	3.7400	1.0639	1.0639	2.6169	2.6169	2.1277	4.5207	2.1362	2.1362	4.0226	4.0226
C3	1.4761	2.4047		3.7400	1.5225	2.6169	2.6169	1.0639	1.0639	4.5207	2.1277	4.0226	4.0226	2.1362	2.1362
C4	2.4269	1.5225	3.7400		4.8527	2.1427	2.1427	4.0158	4.0158	1.0664	5.7657	1.0702	1.0702	4.9589	4.9589
C5	2.4269	3.7400	1.5225	4.8527		4.0158	4.0158	2.1427	2.1427	5.7657	1.0664	4.9589	4.9589	1.0702	1.0702
H6	2.0796	1.0639	2.6169	2.1427	4.0158		1.7411	2.3771	2.9465	2.4679	4.6709	3.0188	2.4659	4.1911	4.5385
H7	2.0796	1.0639	2.6169	2.1427	4.0158	1.7411		2.9465	2.3771	2.4679	4.6709	2.4659	3.0188	4.5385	4.1911
H8	2.0796	2.6169	1.0639	4.0158	2.1427	2.3771	2.9465		1.7411	4.6709	2.4679	4.5385	4.1911	2.4659	3.0188
H9	2.0796	2.6169	1.0639	4.0158	2.1427	2.9465	2.3771	1.7411		4.6709	2.4679	4.1911	4.5385	3.0188	2.4659
H10	3.3535	2.1277	4.5207	1.0664	5.7657	2.4679	2.4679	4.6709	4.6709		6.6160	1.7458	1.7458	5.9171	5.9171
H11	3.3535	4.5207	2.1277	5.7657	1.0664	4.6709	4.6709	2.4679	2.4679	6.6160		5.9171	5.9171	1.7458	1.7458
H12	2.6541	2.1362	4.0226	1.0702	4.9589	3.0188	2.4659	4.5385	4.1911	1.7458	5.9171		1.7416	5.1356	4.8313
H13	2.6541	2.1362	4.0226	1.0702	4.9589	2.4659	3.0188	4.1911	4.5385	1.7458	5.9171	1.7416		4.8313	5.1356
H14	2.6541	4.0226	2.1362	4.9589	1.0702	4.1911	4.5385	2.4659	3.0188	5.9171	1.7458	5.1356	4.8313		1.7416
H15	2.6541	4.0226	2.1362	4.9589	1.0702	4.5385	4.1911	3.0188	2.4659	5.9171	1.7458	4.8313	5.1356	1.7416

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.051	O1	C2	H6	108.836
O1	C2	H7	108.836	O1	C3	C5	108.051
O1	C3	H8	108.836	O1	C3	H9	108.836
C2	O1	C3	109.085	C2	C4	H10	109.269
C2	C4	H12	109.730	C2	C4	H13	109.730
C3	C5	H11	109.269	C3	C5	H14	109.730
C3	C5	H15	109.730	C4	C2	H6	110.623
C4	C2	H7	110.623	C5	C3	H8	110.623
C5	C3	H9	110.623	H6	C2	H7	109.816
H8	C3	H9	109.816	H10	C4	H12	109.591
H10	C4	H13	109.591	H11	C5	H14	109.591
H11	C5	H15	109.591	H12	C4	H13	108.918
H14	C5	H15	108.918

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

using model chemistry: PBEPBE/Def2TZVPP

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	-0.253
2	C	0.011
3	C	0.011
4	C	-0.235
5	C	-0.235
6	H	0.055
7	H	0.055
8	H	0.055
9	H	0.055
10	H	0.073
11	H	0.073
12	H	0.084
13	H	0.084
14	H	0.084
15	H	0.084

<r²>	178.201
(<r²>)^1/2	13.349

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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