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	hartrees
Energy at 0K	-233.398182
Energy at 298.15K	-233.409259
HF Energy	-233.398182
Nuclear repulsion energy	189.023055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3055	3023	41.98
2	A₁	2980	2949	11.05
3	A₁	2886	2856	129.44
4	A₁	1504	1488	2.83
5	A₁	1472	1457	3.41
6	A₁	1412	1397	6.58
7	A₁	1364	1349	1.98
8	A₁	1151	1139	17.01
9	A₁	1036	1025	14.24
10	A₁	836	827	7.53
11	A₁	432	428	0.01
12	A₁	190	188	0.46
13	A₂	3056	3024	0.00
14	A₂	2903	2872	0.00
15	A₂	1452	1436	0.00
16	A₂	1263	1250	0.00
17	A₂	1139	1127	0.00
18	A₂	799	791	0.00
19	A₂	248	246	0.00
20	A₂	106	105	0.00
21	B₁	3056	3024	67.52
22	B₁	2898	2868	153.03
23	B₁	1452	1437	16.89
24	B₁	1269	1255	3.68
25	B₁	1170	1157	12.33
26	B₁	812	803	1.06
27	B₁	253	251	1.47
28	B₁	106	105	3.58
29	B₂	3055	3023	20.30
30	B₂	2980	2949	32.59
31	B₂	2873	2843	12.36
32	B₂	1485	1470	1.38
33	B₂	1467	1452	5.68
34	B₂	1375	1361	43.33
35	B₂	1342	1328	29.52
36	B₂	1121	1110	208.25
37	B₂	1074	1063	10.20
38	B₂	928	918	7.08
39	B₂	423	419	3.43

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.270
C2	0.000	1.182	-0.520
C3	0.000	-1.182	-0.520
C4	0.000	2.382	0.409
C5	0.000	-2.382	0.409
H6	0.893	1.198	-1.182
H7	-0.893	1.198	-1.182
H8	0.893	-1.198	-1.182
H9	-0.893	-1.198	-1.182
H10	0.000	3.321	-0.166
H11	0.000	-3.321	-0.166
H12	-0.890	2.371	1.056
H13	0.890	2.371	1.056
H14	0.890	-2.371	1.056
H15	-0.890	-2.371	1.056

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4222	1.4222	2.3864	2.3864	2.0836	2.0836	2.0836	2.0836	3.3495	3.3495	2.6515	2.6515	2.6515	2.6515
C2	1.4222		2.3644	1.5180	3.6838	1.1114	1.1114	2.6268	2.6268	2.1680	4.5171	2.1654	2.1654	3.9875	3.9875
C3	1.4222	2.3644		3.6838	1.5180	2.6268	2.6268	1.1114	1.1114	4.5171	2.1680	3.9875	3.9875	2.1654	2.1654
C4	2.3864	1.5180	3.6838		4.7648	2.1754	2.1754	4.0184	4.0184	1.1008	5.7323	1.1002	1.1002	4.8790	4.8790
C5	2.3864	3.6838	1.5180	4.7648		4.0184	4.0184	2.1754	2.1754	5.7323	1.1008	4.8790	4.8790	1.1002	1.1002
H6	2.0836	1.1114	2.6268	2.1754	4.0184		1.7856	2.3958	2.9881	2.5174	4.7170	3.0923	2.5263	4.2122	4.5741
H7	2.0836	1.1114	2.6268	2.1754	4.0184	1.7856		2.9881	2.3958	2.5174	4.7170	2.5263	3.0923	4.5741	4.2122
H8	2.0836	2.6268	1.1114	4.0184	2.1754	2.3958	2.9881		1.7856	4.7170	2.5174	4.5741	4.2122	2.5263	3.0923
H9	2.0836	2.6268	1.1114	4.0184	2.1754	2.9881	2.3958	1.7856		4.7170	2.5174	4.2122	4.5741	3.0923	2.5263
H10	3.3495	2.1680	4.5171	1.1008	5.7323	2.5174	2.5174	4.7170	4.7170		6.6420	1.7853	1.7853	5.8892	5.8892
H11	3.3495	4.5171	2.1680	5.7323	1.1008	4.7170	4.7170	2.5174	2.5174	6.6420		5.8892	5.8892	1.7853	1.7853
H12	2.6515	2.1654	3.9875	1.1002	4.8790	3.0923	2.5263	4.5741	4.2122	1.7853	5.8892		1.7808	5.0652	4.7418
H13	2.6515	2.1654	3.9875	1.1002	4.8790	2.5263	3.0923	4.2122	4.5741	1.7853	5.8892	1.7808		4.7418	5.0652
H14	2.6515	3.9875	2.1654	4.8790	1.1002	4.2122	4.5741	2.5263	3.0923	5.8892	1.7853	5.0652	4.7418		1.7808
H15	2.6515	3.9875	2.1654	4.8790	1.1002	4.5741	4.2122	3.0923	2.5263	5.8892	1.7853	4.7418	5.0652	1.7808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.471	O1	C2	H6	110.044
O1	C2	H7	110.044	O1	C3	C5	108.471
O1	C3	H8	110.044	O1	C3	H9	110.044
C2	O1	C3	112.456	C2	C4	H10	110.746
C2	C4	H12	110.572	C2	C4	H13	110.572
C3	C5	H11	110.746	C3	C5	H14	110.572
C3	C5	H15	110.572	C4	C2	H6	110.695
C4	C2	H7	110.695	C5	C3	H8	110.695
C5	C3	H9	110.695	H6	C2	H7	106.892
H8	C3	H9	106.892	H10	C4	H12	108.405
H10	C4	H13	108.405	H11	C5	H14	108.405
H11	C5	H15	108.405	H12	C4	H13	108.053
H14	C5	H15	108.053

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

using model chemistry: PBEPBE/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
1	O	-0.294
2	C	-0.221
3	C	-0.221
4	C	-0.653
5	C	-0.653
6	H	0.184
7	H	0.184
8	H	0.184
9	H	0.184
10	H	0.211
11	H	0.211
12	H	0.222
13	H	0.222
14	H	0.222
15	H	0.222

<r²>	178.017
(<r²>)^1/2	13.342

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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