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	hartrees
Energy at 0K	-233.551603
Energy at 298.15K	-233.562774
HF Energy	-233.551603
Nuclear repulsion energy	190.918240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3153	3020	28.85
2	A₁	3066	2936	8.13
3	A₁	2973	2847	100.57
4	A₁	1536	1471	1.63
5	A₁	1496	1433	2.62
6	A₁	1448	1386	6.56
7	A₁	1389	1331	0.30
8	A₁	1186	1136	23.70
9	A₁	1077	1032	10.71
10	A₁	863	827	3.99
11	A₁	439	421	0.04
12	A₁	188	180	0.60
13	A₂	3154	3021	0.00
14	A₂	2998	2871	0.00
15	A₂	1476	1414	0.00
16	A₂	1288	1234	0.00
17	A₂	1168	1119	0.00
18	A₂	809	775	0.00
19	A₂	244	233	0.00
20	A₂	107	103	0.00
21	B₁	3154	3021	45.80
22	B₁	2993	2867	120.22
23	B₁	1477	1414	8.91
24	B₁	1293	1238	4.53
25	B₁	1201	1150	11.68
26	B₁	820	786	1.19
27	B₁	248	238	1.27
28	B₁	105	100	3.30
29	B₂	3153	3020	15.38
30	B₂	3066	2936	24.40
31	B₂	2961	2836	9.56
32	B₂	1513	1449	3.75
33	B₂	1493	1430	1.75
34	B₂	1403	1344	42.41
35	B₂	1372	1314	35.12
36	B₂	1199	1149	207.12
37	B₂	1098	1052	1.41
38	B₂	953	912	3.64
39	B₂	424	406	2.90

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.263
C2	0.000	1.167	-0.515
C3	0.000	-1.167	-0.515
C4	0.000	2.364	0.409
C5	0.000	-2.364	0.409
H6	0.884	1.187	-1.173
H7	-0.884	1.187	-1.173
H8	0.884	-1.187	-1.173
H9	-0.884	-1.187	-1.173
H10	0.000	3.292	-0.167
H11	0.000	-3.292	-0.167
H12	-0.884	2.351	1.048
H13	0.884	2.351	1.048
H14	0.884	-2.351	1.048
H15	-0.884	-2.351	1.048

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4025	1.4025	2.3683	2.3683	2.0618	2.0618	2.0618	2.0618	3.3194	3.3194	2.6322	2.6322	2.6322	2.6322
C2	1.4025		2.3349	1.5113	3.6500	1.1023	1.1023	2.5998	2.5998	2.1524	4.4726	2.1510	2.1510	3.9506	3.9506
C3	1.4025	2.3349		3.6500	1.5113	2.5998	2.5998	1.1023	1.1023	4.4726	2.1524	3.9506	3.9506	2.1510	2.1510
C4	2.3683	1.5113	3.6500		4.7276	2.1604	2.1604	3.9865	3.9865	1.0917	5.6846	1.0915	1.0915	4.8398	4.8398
C5	2.3683	3.6500	1.5113	4.7276		3.9865	3.9865	2.1604	2.1604	5.6846	1.0917	4.8398	4.8398	1.0915	1.0915
H6	2.0618	1.1023	2.5998	2.1604	3.9865		1.7684	2.3742	2.9604	2.4945	4.6746	3.0686	2.5078	4.1778	4.5367
H7	2.0618	1.1023	2.5998	2.1604	3.9865	1.7684		2.9604	2.3742	2.4945	4.6746	2.5078	3.0686	4.5367	4.1778
H8	2.0618	2.5998	1.1023	3.9865	2.1604	2.3742	2.9604		1.7684	4.6746	2.4945	4.5367	4.1778	2.5078	3.0686
H9	2.0618	2.5998	1.1023	3.9865	2.1604	2.9604	2.3742	1.7684		4.6746	2.4945	4.1778	4.5367	3.0686	2.5078
H10	3.3194	2.1524	4.4726	1.0917	5.6846	2.4945	2.4945	4.6746	4.6746		6.5831	1.7728	1.7728	5.8396	5.8396
H11	3.3194	4.4726	2.1524	5.6846	1.0917	4.6746	4.6746	2.4945	2.4945	6.5831		5.8396	5.8396	1.7728	1.7728
H12	2.6322	2.1510	3.9506	1.0915	4.8398	3.0686	2.5078	4.5367	4.1778	1.7728	5.8396		1.7686	5.0242	4.7026
H13	2.6322	2.1510	3.9506	1.0915	4.8398	2.5078	3.0686	4.1778	4.5367	1.7728	5.8396	1.7686		4.7026	5.0242
H14	2.6322	3.9506	2.1510	4.8398	1.0915	4.1778	4.5367	2.5078	3.0686	5.8396	1.7728	5.0242	4.7026		1.7686
H15	2.6322	3.9506	2.1510	4.8398	1.0915	4.5367	4.1778	3.0686	2.5078	5.8396	1.7728	4.7026	5.0242	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.681	O1	C2	H6	110.222
O1	C2	H7	110.222	O1	C3	C5	108.681
O1	C3	H8	110.222	O1	C3	H9	110.222
C2	O1	C3	112.690	C2	C4	H10	110.525
C2	C4	H12	110.429	C2	C4	H13	110.429
C3	C5	H11	110.525	C3	C5	H14	110.429
C3	C5	H15	110.429	C4	C2	H6	110.525
C4	C2	H7	110.525	C5	C3	H8	110.525
C5	C3	H9	110.525	H6	C2	H7	106.661
H8	C3	H9	106.661	H10	C4	H12	108.583
H10	C4	H13	108.583	H11	C5	H14	108.583
H11	C5	H15	108.583	H12	C4	H13	108.225
H14	C5	H15	108.225

All results from a given calculation for (Ethoxy ethane)

using model chemistry: B1B95/6-31G(2df,p)

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	-0.265
2	C	-0.041
3	C	-0.041
4	C	-0.409
5	C	-0.409
6	H	0.093
7	H	0.093
8	H	0.093
9	H	0.093
10	H	0.124
11	H	0.124
12	H	0.136
13	H	0.136
14	H	0.136
15	H	0.136

<r²>	174.670
(<r²>)^1/2	13.216