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	hartrees
Energy at 0K	-233.589470
Energy at 298.15K	-233.600659
Nuclear repulsion energy	189.992071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3148	3017	33.60
2	A₁	3064	2937	7.64
3	A₁	2975	2851	109.35
4	A₁	1550	1485	0.92
5	A₁	1511	1448	3.87
6	A₁	1460	1400	5.95
7	A₁	1405	1346	0.50
8	A₁	1190	1141	23.47
9	A₁	1072	1027	11.21
10	A₁	868	832	5.49
11	A₁	443	424	0.04
12	A₁	193	185	0.70
13	A₂	3152	3021	0.00
14	A₂	2999	2874	0.00
15	A₂	1492	1430	0.00
16	A₂	1297	1243	0.00
17	A₂	1174	1125	0.00
18	A₂	819	785	0.00
19	A₂	253	242	0.00
20	A₂	105	100	0.00
21	B₁	3152	3021	51.35
22	B₁	2996	2871	136.16
23	B₁	1492	1430	10.45
24	B₁	1303	1249	3.22
25	B₁	1206	1156	12.66
26	B₁	831	797	1.49
27	B₁	257	247	1.48
28	B₁	106	102	4.10
29	B₂	3148	3017	16.71
30	B₂	3064	2936	27.32
31	B₂	2962	2839	11.06
32	B₂	1527	1463	3.88
33	B₂	1508	1446	2.47
34	B₂	1422	1363	44.72
35	B₂	1382	1325	41.00
36	B₂	1191	1142	207.46
37	B₂	1104	1058	2.51
38	B₂	955	916	3.31
39	B₂	433	415	3.26

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.262
C2	0.000	1.176	-0.518
C3	0.000	-1.176	-0.518
C4	0.000	2.372	0.412
C5	0.000	-2.372	0.412
H6	0.886	1.199	-1.177
H7	-0.886	1.199	-1.177
H8	0.886	-1.199	-1.177
H9	-0.886	-1.199	-1.177
H10	0.000	3.304	-0.162
H11	0.000	-3.304	-0.162
H12	-0.886	2.359	1.053
H13	0.886	2.359	1.053
H14	0.886	-2.359	1.053
H15	-0.886	-2.359	1.053

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4107	1.4107	2.3769	2.3769	2.0713	2.0713	2.0713	2.0713	3.3313	3.3313	2.6414	2.6414	2.6414	2.6414
C2	1.4107		2.3516	1.5152	3.6677	1.1042	1.1042	2.6186	2.6186	2.1581	4.4942	2.1572	2.1572	3.9685	3.9685
C3	1.4107	2.3516		3.6677	1.5152	2.6186	2.6186	1.1042	1.1042	4.4942	2.1581	3.9685	3.9685	2.1572	2.1572
C4	2.3769	1.5152	3.6677		4.7443	2.1644	2.1644	4.0074	4.0074	1.0943	5.7053	1.0937	1.0937	4.8561	4.8561
C5	2.3769	3.6677	1.5152	4.7443		4.0074	4.0074	2.1644	2.1644	5.7053	1.0943	4.8561	4.8561	1.0937	1.0937
H6	2.0713	1.1042	2.6186	2.1644	4.0074		1.7721	2.3974	2.9813	2.4998	4.7002	3.0753	2.5136	4.1988	4.5574
H7	2.0713	1.1042	2.6186	2.1644	4.0074	1.7721		2.9813	2.3974	2.4998	4.7002	2.5136	3.0753	4.5574	4.1988
H8	2.0713	2.6186	1.1042	4.0074	2.1644	2.3974	2.9813		1.7721	4.7002	2.4998	4.5574	4.1988	2.5136	3.0753
H9	2.0713	2.6186	1.1042	4.0074	2.1644	2.9813	2.3974	1.7721		4.7002	2.4998	4.1988	4.5574	3.0753	2.5136
H10	3.3313	2.1581	4.4942	1.0943	5.7053	2.4998	2.4998	4.7002	4.7002		6.6086	1.7757	1.7757	5.8596	5.8596
H11	3.3313	4.4942	2.1581	5.7053	1.0943	4.7002	4.7002	2.4998	2.4998	6.6086		5.8596	5.8596	1.7757	1.7757
H12	2.6414	2.1572	3.9685	1.0937	4.8561	3.0753	2.5136	4.5574	4.1988	1.7757	5.8596		1.7716	5.0401	4.7185
H13	2.6414	2.1572	3.9685	1.0937	4.8561	2.5136	3.0753	4.1988	4.5574	1.7757	5.8596	1.7716		4.7185	5.0401
H14	2.6414	3.9685	2.1572	4.8561	1.0937	4.1988	4.5574	2.5136	3.0753	5.8596	1.7757	5.0401	4.7185		1.7716
H15	2.6414	3.9685	2.1572	4.8561	1.0937	4.5574	4.1988	3.0753	2.5136	5.8596	1.7757	4.7185	5.0401	1.7716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.605	O1	C2	H6	110.296
O1	C2	H7	110.296	O1	C3	C5	108.605
O1	C3	H8	110.296	O1	C3	H9	110.296
C2	O1	C3	112.912	C2	C4	H10	110.557
C2	C4	H12	110.517	C2	C4	H13	110.517
C3	C5	H11	110.557	C3	C5	H14	110.517
C3	C5	H15	110.517	C4	C2	H6	110.461
C4	C2	H7	110.461	C5	C3	H8	110.461
C5	C3	H9	110.461	H6	C2	H7	106.723
H8	C3	H9	106.723	H10	C4	H12	108.498
H10	C4	H13	108.498	H11	C5	H14	108.498
H11	C5	H15	108.498	H12	C4	H13	108.180
H14	C5	H15	108.180

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

using model chemistry: B3PW91/6-31G**

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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Number	Element	Mulliken
1	O	-0.483
2	C	0.033
3	C	0.033
4	C	-0.406
5	C	-0.406
6	H	0.101
7	H	0.101
8	H	0.101
9	H	0.101
10	H	0.126
11	H	0.126
12	H	0.143
13	H	0.143
14	H	0.143
15	H	0.143

<r²>	175.968
(<r²>)^1/2	13.265

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

using model chemistry: B3PW91/6-31G**

States and conformations

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