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	hartrees
Energy at 0K	-232.897498
Energy at 298.15K	-232.908780
HF Energy	-232.143061
Nuclear repulsion energy	189.743968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3168	2999	33.03
2	A₁	3087	2922	4.34
3	A₁	3022	2861	87.71
4	A₁	1596	1511	0.22
5	A₁	1554	1471	5.01
6	A₁	1505	1424	4.54
7	A₁	1451	1373	0.69
8	A₁	1222	1157	21.47
9	A₁	1101	1042	10.72
10	A₁	891	843	6.82
11	A₁	454	429	0.15
12	A₁	199	188	0.72
13	A₂	3177	3007	0.00
14	A₂	3051	2888	0.00
15	A₂	1537	1455	0.00
16	A₂	1326	1255	0.00
17	A₂	1210	1145	0.00
18	A₂	839	794	0.00
19	A₂	262	248	0.00
20	A₂	96	91	0.00
21	B₁	3177	3007	49.97
22	B₁	3051	2888	112.97
23	B₁	1538	1455	9.49
24	B₁	1335	1264	2.31
25	B₁	1243	1177	12.92
26	B₁	853	807	0.44
27	B₁	269	255	1.88
28	B₁	112	106	4.99
29	B₂	3168	2998	17.70
30	B₂	3087	2922	26.62
31	B₂	3012	2851	5.61
32	B₂	1578	1494	4.01
33	B₂	1552	1469	1.35
34	B₂	1471	1392	44.45
35	B₂	1425	1349	48.78
36	B₂	1219	1153	166.18
37	B₂	1136	1076	1.74
38	B₂	979	927	4.67
39	B₂	443	419	3.66

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.329
C2	0.000	1.195	-0.525
C3	0.000	-1.195	-0.525
C4	0.000	2.414	0.385
C5	0.000	-2.414	0.385
H6	0.869	1.183	-1.137
H7	-0.869	1.183	-1.137
H8	0.869	-1.183	-1.137
H9	-0.869	-1.183	-1.137
H10	0.000	3.298	-0.210
H11	0.000	-3.298	-0.210
H12	-0.870	2.399	1.006
H13	0.870	2.399	1.006
H14	0.870	-2.399	1.006
H15	-0.870	-2.399	1.006

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4688	1.4688	2.4147	2.4147	2.0742	2.0742	2.0742	2.0742	3.3420	3.3420	2.6398	2.6398	2.6398	2.6398
C2	1.4688		2.3897	1.5214	3.7218	1.0625	1.0625	2.6044	2.6044	2.1270	4.5042	2.1331	2.1331	4.0018	4.0018
C3	1.4688	2.3897		3.7218	1.5214	2.6044	2.6044	1.0625	1.0625	4.5042	2.1270	4.0018	4.0018	2.1331	2.1331
C4	2.4147	1.5214	3.7218		4.8281	2.1412	2.1412	4.0010	4.0010	1.0656	5.7432	1.0689	1.0689	4.9300	4.9300
C5	2.4147	3.7218	1.5214	4.8281		4.0010	4.0010	2.1412	2.1412	5.7432	1.0656	4.9300	4.9300	1.0689	1.0689
H6	2.0742	1.0625	2.6044	2.1412	4.0010		1.7380	2.3660	2.9357	2.4674	4.6578	3.0151	2.4632	4.1735	4.5212
H7	2.0742	1.0625	2.6044	2.1412	4.0010	1.7380		2.9357	2.3660	2.4674	4.6578	2.4632	3.0151	4.5212	4.1735
H8	2.0742	2.6044	1.0625	4.0010	2.1412	2.3660	2.9357		1.7380	4.6578	2.4674	4.5212	4.1735	2.4632	3.0151
H9	2.0742	2.6044	1.0625	4.0010	2.1412	2.9357	2.3660	1.7380		4.6578	2.4674	4.1735	4.5212	3.0151	2.4632
H10	3.3420	2.1270	4.5042	1.0656	5.7432	2.4674	2.4674	4.6578	4.6578		6.5966	1.7446	1.7446	5.8899	5.8899
H11	3.3420	4.5042	2.1270	5.7432	1.0656	4.6578	4.6578	2.4674	2.4674	6.5966		5.8899	5.8899	1.7446	1.7446
H12	2.6398	2.1331	4.0018	1.0689	4.9300	3.0151	2.4632	4.5212	4.1735	1.7446	5.8899		1.7395	5.1031	4.7975
H13	2.6398	2.1331	4.0018	1.0689	4.9300	2.4632	3.0151	4.1735	4.5212	1.7446	5.8899	1.7395		4.7975	5.1031
H14	2.6398	4.0018	2.1331	4.9300	1.0689	4.1735	4.5212	2.4632	3.0151	5.8899	1.7446	5.1031	4.7975		1.7395
H15	2.6398	4.0018	2.1331	4.9300	1.0689	4.5212	4.1735	3.0151	2.4632	5.8899	1.7446	4.7975	5.1031	1.7395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	107.701	O1	C2	H6	108.995
O1	C2	H7	108.995	O1	C3	C5	107.701
O1	C3	H8	108.995	O1	C3	H9	108.995
C2	O1	C3	108.874	C2	C4	H10	109.346
C2	C4	H12	109.639	C2	C4	H13	109.639
C3	C5	H11	109.346	C3	C5	H14	109.639
C3	C5	H15	109.639	C4	C2	H6	110.671
C4	C2	H7	110.671	C5	C3	H8	110.671
C5	C3	H9	110.671	H6	C2	H7	109.753
H8	C3	H9	109.753	H10	C4	H12	109.642
H10	C4	H13	109.642	H11	C5	H14	109.642
H11	C5	H15	109.642	H12	C4	H13	108.920
H14	C5	H15	108.920

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

using model chemistry: CCD/6-31G*

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

using model chemistry: CCD/6-31G*

States and conformations

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