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	hartrees
Energy at 0K	-233.666238
Energy at 298.15K	-233.677449
HF Energy	-233.666238
Nuclear repulsion energy	190.487926

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3143	3006	36.82
2	A₁	3063	2931	8.31
3	A₁	2984	2855	113.97
4	A₁	1542	1475	2.74
5	A₁	1506	1441	4.21
6	A₁	1461	1397	5.11
7	A₁	1402	1341	1.72
8	A₁	1194	1142	23.05
9	A₁	1077	1030	13.13
10	A₁	871	833	6.63
11	A₁	442	423	0.04
12	A₁	193	185	0.51
13	A₂	3145	3009	0.00
14	A₂	3007	2876	0.00
15	A₂	1483	1419	0.00
16	A₂	1302	1245	0.00
17	A₂	1175	1124	0.00
18	A₂	820	785	0.00
19	A₂	251	240	0.00
20	A₂	100	96	0.00
21	B₁	3145	3009	58.55
22	B₁	3004	2874	128.61
23	B₁	1484	1419	14.66
24	B₁	1307	1251	4.80
25	B₁	1205	1153	13.05
26	B₁	833	797	1.01
27	B₁	258	247	1.63
28	B₁	106	101	4.14
29	B₂	3142	3006	18.82
30	B₂	3063	2930	29.36
31	B₂	2973	2844	9.31
32	B₂	1522	1456	2.99
33	B₂	1503	1438	2.21
34	B₂	1418	1357	51.48
35	B₂	1384	1324	23.09
36	B₂	1190	1139	221.61
37	B₂	1109	1061	2.12
38	B₂	959	917	4.09
39	B₂	435	416	3.61

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.260
C2	0.000	1.173	-0.517
C3	0.000	-1.173	-0.517
C4	0.000	2.366	0.410
C5	0.000	-2.366	0.410
H6	0.885	1.193	-1.171
H7	-0.885	1.193	-1.171
H8	0.885	-1.193	-1.171
H9	-0.885	-1.193	-1.171
H10	0.000	3.297	-0.160
H11	0.000	-3.297	-0.160
H12	-0.884	2.351	1.050
H13	0.884	2.351	1.050
H14	0.884	-2.351	1.050
H15	-0.884	-2.351	1.050

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4073	1.4073	2.3709	2.3709	2.0627	2.0627	2.0627	2.0627	3.3238	3.3238	2.6329	2.6329	2.6329	2.6329
C2	1.4073		2.3470	1.5107	3.6590	1.1010	1.1010	2.6100	2.6100	2.1534	4.4849	2.1501	2.1501	3.9570	3.9570
C3	1.4073	2.3470		3.6590	1.5107	2.6100	2.6100	1.1010	1.1010	4.4849	2.1534	3.9570	3.9570	2.1501	2.1501
C4	2.3709	1.5107	3.6590		4.7322	2.1589	2.1589	3.9940	3.9940	1.0920	5.6920	1.0913	1.0913	4.8415	4.8415
C5	2.3709	3.6590	1.5107	4.7322		3.9940	3.9940	2.1589	2.1589	5.6920	1.0920	4.8415	4.8415	1.0913	1.0913
H6	2.0627	1.1010	2.6100	2.1589	3.9940		1.7707	2.3861	2.9713	2.4966	4.6870	3.0667	2.5047	4.1824	4.5412
H7	2.0627	1.1010	2.6100	2.1589	3.9940	1.7707		2.9713	2.3861	2.4966	4.6870	2.5047	3.0667	4.5412	4.1824
H8	2.0627	2.6100	1.1010	3.9940	2.1589	2.3861	2.9713		1.7707	4.6870	2.4966	4.5412	4.1824	2.5047	3.0667
H9	2.0627	2.6100	1.1010	3.9940	2.1589	2.9713	2.3861	1.7707		4.6870	2.4966	4.1824	4.5412	3.0667	2.5047
H10	3.3238	2.1534	4.4849	1.0920	5.6920	2.4966	2.4966	4.6870	4.6870		6.5944	1.7725	1.7725	5.8435	5.8435
H11	3.3238	4.4849	2.1534	5.6920	1.0920	4.6870	4.6870	2.4966	2.4966	6.5944		5.8435	5.8435	1.7725	1.7725
H12	2.6329	2.1501	3.9570	1.0913	4.8415	3.0667	2.5047	4.5412	4.1824	1.7725	5.8435		1.7680	5.0231	4.7017
H13	2.6329	2.1501	3.9570	1.0913	4.8415	2.5047	3.0667	4.1824	4.5412	1.7725	5.8435	1.7680		4.7017	5.0231
H14	2.6329	3.9570	2.1501	4.8415	1.0913	4.1824	4.5412	2.5047	3.0667	5.8435	1.7725	5.0231	4.7017		1.7680
H15	2.6329	3.9570	2.1501	4.8415	1.0913	4.5412	4.1824	3.0667	2.5047	5.8435	1.7725	4.7017	5.0231	1.7680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.629	O1	C2	H6	110.046
O1	C2	H7	110.046	O1	C3	C5	108.629
O1	C3	H8	110.046	O1	C3	H9	110.046
C2	O1	C3	112.989	C2	C4	H10	110.635
C2	C4	H12	110.411	C2	C4	H13	110.411
C3	C5	H11	110.635	C3	C5	H14	110.411
C3	C5	H15	110.411	C4	C2	H6	110.528
C4	C2	H7	110.528	C5	C3	H8	110.528
C5	C3	H9	110.528	H6	C2	H7	107.060
H8	C3	H9	107.060	H10	C4	H12	108.554
H10	C4	H13	108.554	H11	C5	H14	108.554
H11	C5	H15	108.554	H12	C4	H13	108.204
H14	C5	H15	108.204

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

using model chemistry: mPW1PW91/6-311G**

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	-0.366
2	C	-0.038
3	C	-0.038
4	C	-0.347
5	C	-0.347
6	H	0.099
7	H	0.099
8	H	0.099
9	H	0.099
10	H	0.115
11	H	0.115
12	H	0.128
13	H	0.128
14	H	0.128
15	H	0.128

<r²>	175.423
(<r²>)^1/2	13.245

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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