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	hartrees
Energy at 0K	-233.374218
Energy at 298.15K	-233.385456
HF Energy	-233.143370
Nuclear repulsion energy	189.789042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3168	3007	37.14
2	A₁	3092	2935	5.39
3	A₁	3015	2862	103.11
4	A₁	1590	1509	0.12
5	A₁	1552	1474	3.97
6	A₁	1492	1416	5.79
7	A₁	1445	1372	0.21
8	A₁	1206	1145	19.19
9	A₁	1077	1022	11.11
10	A₁	876	832	7.96
11	A₁	446	423	0.08
12	A₁	196	186	0.68
13	A₂	3176	3015	0.00
14	A₂	3039	2885	0.00
15	A₂	1535	1457	0.00
16	A₂	1321	1254	0.00
17	A₂	1201	1140	0.00
18	A₂	836	794	0.00
19	A₂	261	248	0.00
20	A₂	102	97	0.00
21	B₁	3177	3015	55.69
22	B₁	3038	2884	133.25
23	B₁	1535	1457	9.16
24	B₁	1327	1260	2.45
25	B₁	1234	1171	12.58
26	B₁	849	805	0.57
27	B₁	266	252	1.67
28	B₁	109	103	4.34
29	B₂	3168	3007	18.35
30	B₂	3091	2934	28.99
31	B₂	3004	2851	8.83
32	B₂	1571	1491	3.74
33	B₂	1550	1471	2.46
34	B₂	1460	1386	33.22
35	B₂	1415	1344	58.84
36	B₂	1185	1125	188.85
37	B₂	1124	1067	7.27
38	B₂	967	918	5.75
39	B₂	438	415	3.10

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.261
C2	0.000	1.180	-0.523
C3	0.000	-1.180	-0.523
C4	0.000	2.372	0.415
C5	0.000	-2.372	0.415
H6	0.886	1.200	-1.177
H7	-0.886	1.200	-1.177
H8	0.886	-1.200	-1.177
H9	-0.886	-1.200	-1.177
H10	0.000	3.307	-0.152
H11	0.000	-3.307	-0.152
H12	-0.886	2.352	1.054
H13	0.886	2.352	1.054
H14	0.886	-2.352	1.054
H15	-0.886	-2.352	1.054

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4171	1.4171	2.3771	2.3771	2.0727	2.0727	2.0727	2.0727	3.3331	3.3331	2.6350	2.6350	2.6350	2.6350
C2	1.4171		2.3604	1.5168	3.6741	1.1015	1.1015	2.6230	2.6230	2.1592	4.5028	2.1552	2.1552	3.9682	3.9682
C3	1.4171	2.3604		3.6741	1.5168	2.6230	2.6230	1.1015	1.1015	4.5028	2.1592	3.9682	3.9682	2.1552	2.1552
C4	2.3771	1.5168	3.6741		4.7444	2.1663	2.1663	4.0105	4.0105	1.0937	5.7077	1.0924	1.0924	4.8485	4.8485
C5	2.3771	3.6741	1.5168	4.7444		4.0105	4.0105	2.1663	2.1663	5.7077	1.0937	4.8485	4.8485	1.0924	1.0924
H6	2.0727	1.1015	2.6230	2.1663	4.0105		1.7718	2.4010	2.9839	2.5049	4.7070	3.0730	2.5110	4.1950	4.5537
H7	2.0727	1.1015	2.6230	2.1663	4.0105	1.7718		2.9839	2.4010	2.5049	4.7070	2.5110	3.0730	4.5537	4.1950
H8	2.0727	2.6230	1.1015	4.0105	2.1663	2.4010	2.9839		1.7718	4.7070	2.5049	4.5537	4.1950	2.5110	3.0730
H9	2.0727	2.6230	1.1015	4.0105	2.1663	2.9839	2.4010	1.7718		4.7070	2.5049	4.1950	4.5537	3.0730	2.5110
H10	3.3331	2.1592	4.5028	1.0937	5.7077	2.5049	2.5049	4.7070	4.7070		6.6146	1.7756	1.7756	5.8536	5.8536
H11	3.3331	4.5028	2.1592	5.7077	1.0937	4.7070	4.7070	2.5049	2.5049	6.6146		5.8536	5.8536	1.7756	1.7756
H12	2.6350	2.1552	3.9682	1.0924	4.8485	3.0730	2.5110	4.5537	4.1950	1.7756	5.8536		1.7711	5.0258	4.7034
H13	2.6350	2.1552	3.9682	1.0924	4.8485	2.5110	3.0730	4.1950	4.5537	1.7756	5.8536	1.7711		4.7034	5.0258
H14	2.6350	3.9682	2.1552	4.8485	1.0924	4.1950	4.5537	2.5110	3.0730	5.8536	1.7756	5.0258	4.7034		1.7711
H15	2.6350	3.9682	2.1552	4.8485	1.0924	4.5537	4.1950	3.0730	2.5110	5.8536	1.7756	4.7034	5.0258	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.187	O1	C2	H6	110.131
O1	C2	H7	110.131	O1	C3	C5	108.187
O1	C3	H8	110.131	O1	C3	H9	110.131
C2	O1	C3	112.773	C2	C4	H10	110.565
C2	C4	H12	110.316	C2	C4	H13	110.316
C3	C5	H11	110.565	C3	C5	H14	110.316
C3	C5	H15	110.316	C4	C2	H6	110.660
C4	C2	H7	110.660	C5	C3	H8	110.660
C5	C3	H9	110.660	H6	C2	H7	107.081
H8	C3	H9	107.081	H10	C4	H12	108.633
H10	C4	H13	108.633	H11	C5	H14	108.633
H11	C5	H15	108.633	H12	C4	H13	108.316
H14	C5	H15	108.316

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

using model chemistry: B2PLYP/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	-0.537
2	C	0.007
3	C	0.007
4	C	-0.470
5	C	-0.470
6	H	0.127
7	H	0.127
8	H	0.127
9	H	0.127
10	H	0.148
11	H	0.148
12	H	0.165
13	H	0.165
14	H	0.165
15	H	0.165

<r²>	176.333
(<r²>)^1/2	13.279

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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