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	hartrees
Energy at 0K	-233.598147
Energy at 298.15K	-233.609375
HF Energy	-233.598147
Nuclear repulsion energy	189.988248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3152	3002	37.14
2	A₁	3067	2921	8.02
3	A₁	2991	2849	127.01
4	A₁	1541	1468	2.48
5	A₁	1506	1434	5.20
6	A₁	1474	1404	3.42
7	A₁	1412	1346	1.73
8	A₁	1197	1141	26.65
9	A₁	1083	1031	13.91
10	A₁	879	837	7.09
11	A₁	450	429	0.04
12	A₁	202	193	0.80
13	A₂	3154	3005	0.00
14	A₂	3021	2878	0.00
15	A₂	1496	1425	0.00
16	A₂	1310	1248	0.00
17	A₂	1176	1120	0.00
18	A₂	819	780	0.00
19	A₂	254	242	0.00
20	A₂	74	71	0.00
21	B₁	3155	3005	56.07
22	B₁	3017	2874	127.42
23	B₁	1496	1425	15.54
24	B₁	1325	1262	6.00
25	B₁	1203	1146	12.81
26	B₁	835	796	0.64
27	B₁	256	244	1.57
28	B₁	126	120	5.53
29	B₂	3151	3002	19.93
30	B₂	3066	2921	34.61
31	B₂	2981	2840	10.41
32	B₂	1519	1447	3.37
33	B₂	1503	1432	2.48
34	B₂	1435	1367	61.08
35	B₂	1397	1330	20.69
36	B₂	1205	1148	214.82
37	B₂	1112	1059	2.50
38	B₂	961	916	3.08
39	B₂	443	422	3.13

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.325
C2	0.000	1.196	-0.523
C3	0.000	-1.196	-0.523
C4	0.000	2.416	0.384
C5	0.000	-2.416	0.384
H6	0.869	1.183	-1.133
H7	-0.869	1.183	-1.133
H8	0.869	-1.183	-1.133
H9	-0.869	-1.183	-1.133
H10	0.000	3.298	-0.212
H11	0.000	-3.298	-0.212
H12	-0.869	2.404	1.005
H13	0.869	2.404	1.005
H14	0.869	-2.404	1.005
H15	-0.869	-2.404	1.005

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4663	1.4663	2.4170	2.4170	2.0695	2.0695	2.0695	2.0695	3.3419	3.3419	2.6450	2.6450	2.6450	2.6450
C2	1.4663		2.3925	1.5206	3.7247	1.0622	1.0622	2.6059	2.6059	2.1251	4.5054	2.1330	2.1330	4.0063	4.0063
C3	1.4663	2.3925		3.7247	1.5206	2.6059	2.6059	1.0622	1.0622	4.5054	2.1251	4.0063	4.0063	2.1330	2.1330
C4	2.4170	1.5206	3.7247		4.8325	2.1399	2.1399	4.0021	4.0021	1.0650	5.7458	1.0684	1.0684	4.9368	4.9368
C5	2.4170	3.7247	1.5206	4.8325		4.0021	4.0021	2.1399	2.1399	5.7458	1.0650	4.9368	4.9368	1.0684	1.0684
H6	2.0695	1.0622	2.6059	2.1399	4.0021		1.7388	2.3667	2.9368	2.4653	4.6573	3.0143	2.4624	4.1762	4.5237
H7	2.0695	1.0622	2.6059	2.1399	4.0021	1.7388		2.9368	2.3667	2.4653	4.6573	2.4624	3.0143	4.5237	4.1762
H8	2.0695	2.6059	1.0622	4.0021	2.1399	2.3667	2.9368		1.7388	4.6573	2.4653	4.5237	4.1762	2.4624	3.0143
H9	2.0695	2.6059	1.0622	4.0021	2.1399	2.9368	2.3667	1.7388		4.6573	2.4653	4.1762	4.5237	3.0143	2.4624
H10	3.3419	2.1251	4.5054	1.0650	5.7458	2.4653	2.4653	4.6573	4.6573		6.5969	1.7434	1.7434	5.8950	5.8950
H11	3.3419	4.5054	2.1251	5.7458	1.0650	4.6573	4.6573	2.4653	2.4653	6.5969		5.8950	5.8950	1.7434	1.7434
H12	2.6450	2.1330	4.0063	1.0684	4.9368	3.0143	2.4624	4.5237	4.1762	1.7434	5.8950		1.7385	5.1118	4.8071
H13	2.6450	2.1330	4.0063	1.0684	4.9368	2.4624	3.0143	4.1762	4.5237	1.7434	5.8950	1.7385		4.8071	5.1118
H14	2.6450	4.0063	2.1330	4.9368	1.0684	4.1762	4.5237	2.4624	3.0143	5.8950	1.7434	5.1118	4.8071		1.7385
H15	2.6450	4.0063	2.1330	4.9368	1.0684	4.5237	4.1762	3.0143	2.4624	5.8950	1.7434	4.8071	5.1118	1.7385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.021	O1	C2	H6	108.805
O1	C2	H7	108.805	O1	C3	C5	108.021
O1	C3	H8	108.805	O1	C3	H9	108.805
C2	O1	C3	109.331	C2	C4	H10	109.282
C2	C4	H12	109.718	C2	C4	H13	109.718
C3	C5	H11	109.282	C3	C5	H14	109.718
C3	C5	H15	109.718	C4	C2	H6	110.644
C4	C2	H7	110.644	C5	C3	H8	110.644
C5	C3	H9	110.644	H6	C2	H7	109.862
H8	C3	H9	109.862	H10	C4	H12	109.605
H10	C4	H13	109.605	H11	C5	H14	109.605
H11	C5	H15	109.605	H12	C4	H13	108.900
H14	C5	H15	108.900

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

using model chemistry: wB97X-D/cc-pVDZ

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	-0.358
2	C	0.048
3	C	0.048
4	C	-0.615
5	C	-0.615
6	H	0.125
7	H	0.125
8	H	0.125
9	H	0.125
10	H	0.154
11	H	0.154
12	H	0.171
13	H	0.171
14	H	0.171
15	H	0.171

<r²>	176.490
(<r²>)^1/2	13.285

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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