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	hartrees
Energy at 0K	-232.867426
Energy at 298.15K	-232.878730
HF Energy	-232.143265
Nuclear repulsion energy	190.100014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3210	3024	26.72
2	A₁	3118	2938	3.81
3	A₁	3044	2868	89.51
4	A₁	1604	1511	0.19
5	A₁	1567	1476	4.80
6	A₁	1502	1415	5.76
7	A₁	1454	1370	0.70
8	A₁	1217	1147	17.72
9	A₁	1097	1034	12.19
10	A₁	885	834	7.56
11	A₁	451	425	0.11
12	A₁	198	187	0.74
13	A₂	3221	3035	0.00
14	A₂	3083	2905	0.00
15	A₂	1550	1460	0.00
16	A₂	1331	1254	0.00
17	A₂	1212	1142	0.00
18	A₂	844	796	0.00
19	A₂	269	254	0.00
20	A₂	100	94	0.00
21	B₁	3221	3035	39.35
22	B₁	3080	2902	115.30
23	B₁	1550	1460	10.54
24	B₁	1337	1260	1.78
25	B₁	1245	1173	12.85
26	B₁	858	808	0.74
27	B₁	276	260	1.76
28	B₁	113	106	4.73
29	B₂	3209	3024	13.70
30	B₂	3118	2938	23.16
31	B₂	3036	2860	7.37
32	B₂	1586	1494	3.38
33	B₂	1565	1474	2.59
34	B₂	1472	1387	37.91
35	B₂	1423	1341	49.36
36	B₂	1200	1130	171.78
37	B₂	1140	1074	2.98
38	B₂	981	924	5.64
39	B₂	443	417	3.78

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.332
C2	0.000	1.193	-0.526
C3	0.000	-1.193	-0.526
C4	0.000	2.408	0.384
C5	0.000	-2.408	0.384
H6	0.869	1.181	-1.137
H7	-0.869	1.181	-1.137
H8	0.869	-1.181	-1.137
H9	-0.869	-1.181	-1.137
H10	0.000	3.293	-0.210
H11	0.000	-3.293	-0.210
H12	-0.870	2.392	1.004
H13	0.870	2.392	1.004
H14	0.870	-2.392	1.004
H15	-0.870	-2.392	1.004

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4693	1.4693	2.4088	2.4088	2.0755	2.0755	2.0755	2.0755	3.3369	3.3369	2.6323	2.6323	2.6323	2.6323
C2	1.4693		2.3860	1.5180	3.7144	1.0629	1.0629	2.6009	2.6009	2.1231	4.4967	2.1294	2.1294	3.9935	3.9935
C3	1.4693	2.3860		3.7144	1.5180	2.6009	2.6009	1.0629	1.0629	4.4967	2.1231	3.9935	3.9935	2.1294	2.1294
C4	2.4088	1.5180	3.7144		4.8165	2.1391	2.1391	3.9938	3.9938	1.0653	5.7316	1.0683	1.0683	4.9174	4.9174
C5	2.4088	3.7144	1.5180	4.8165		3.9938	3.9938	2.1391	2.1391	5.7316	1.0653	4.9174	4.9174	1.0683	1.0683
H6	2.0755	1.0629	2.6009	2.1391	3.9938		1.7390	2.3617	2.9328	2.4646	4.6504	3.0126	2.4600	4.1652	4.5136
H7	2.0755	1.0629	2.6009	2.1391	3.9938	1.7390		2.9328	2.3617	2.4646	4.6504	2.4600	3.0126	4.5136	4.1652
H8	2.0755	2.6009	1.0629	3.9938	2.1391	2.3617	2.9328		1.7390	4.6504	2.4646	4.5136	4.1652	2.4600	3.0126
H9	2.0755	2.6009	1.0629	3.9938	2.1391	2.9328	2.3617	1.7390		4.6504	2.4646	4.1652	4.5136	3.0126	2.4600
H10	3.3369	2.1231	4.4967	1.0653	5.7316	2.4646	2.4646	4.6504	4.6504		6.5851	1.7443	1.7443	5.8773	5.8773
H11	3.3369	4.4967	2.1231	5.7316	1.0653	4.6504	4.6504	2.4646	2.4646	6.5851		5.8773	5.8773	1.7443	1.7443
H12	2.6323	2.1294	3.9935	1.0683	4.9174	3.0126	2.4600	4.5136	4.1652	1.7443	5.8773		1.7390	5.0899	4.7836
H13	2.6323	2.1294	3.9935	1.0683	4.9174	2.4600	3.0126	4.1652	4.5136	1.7443	5.8773	1.7390		4.7836	5.0899
H14	2.6323	3.9935	2.1294	4.9174	1.0683	4.1652	4.5136	2.4600	3.0126	5.8773	1.7443	5.0899	4.7836		1.7390
H15	2.6323	3.9935	2.1294	4.9174	1.0683	4.5136	4.1652	3.0126	2.4600	5.8773	1.7443	4.7836	5.0899	1.7390

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	107.469	O1	C2	H6	109.047
O1	C2	H7	109.047	O1	C3	C5	107.469
O1	C3	H8	109.047	O1	C3	H9	109.047
C2	O1	C3	108.575	C2	C4	H10	109.288
C2	C4	H12	109.616	C2	C4	H13	109.616
C3	C5	H11	109.288	C3	C5	H14	109.616
C3	C5	H15	109.616	C4	C2	H6	110.719
C4	C2	H7	110.719	C5	C3	H8	110.719
C5	C3	H9	110.719	H6	C2	H7	109.780
H8	C3	H9	109.780	H10	C4	H12	109.673
H10	C4	H13	109.673	H11	C5	H14	109.673
H11	C5	H15	109.673	H12	C4	H13	108.962
H14	C5	H15	108.962

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

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