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	hartrees
Energy at 0K	-233.610746
Energy at 298.15K	-233.621829
HF Energy	-233.610746
Nuclear repulsion energy	189.094661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3057	3010	42.86
2	A₁	2987	2942	9.42
3	A₁	2901	2856	130.76
4	A₁	1499	1476	1.88
5	A₁	1471	1448	2.80
6	A₁	1412	1391	6.67
7	A₁	1374	1353	0.32
8	A₁	1148	1130	17.03
9	A₁	1025	1009	12.65
10	A₁	832	820	8.54
11	A₁	430	423	0.01
12	A₁	190	187	0.74
13	A₂	3061	3014	0.00
14	A₂	2917	2872	0.00
15	A₂	1455	1432	0.00
16	A₂	1267	1247	0.00
17	A₂	1141	1124	0.00
18	A₂	803	790	0.00
19	A₂	237	233	0.00
20	A₂	97	95	0.00
21	B₁	3061	3015	65.34
22	B₁	2913	2868	132.66
23	B₁	1455	1432	11.04
24	B₁	1274	1254	3.50
25	B₁	1169	1151	9.78
26	B₁	814	802	0.66
27	B₁	240	236	1.11
28	B₁	103	101	3.93
29	B₂	3057	3010	17.14
30	B₂	2987	2941	38.42
31	B₂	2888	2844	13.85
32	B₂	1483	1460	1.09
33	B₂	1468	1445	3.14
34	B₂	1380	1359	18.58
35	B₂	1349	1328	34.44
36	B₂	1102	1085	183.67
37	B₂	1068	1052	45.96
38	B₂	920	906	8.65
39	B₂	428	421	2.38

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.273
C2	0.000	1.186	-0.516
C3	0.000	-1.186	-0.516
C4	0.000	2.391	0.406
C5	0.000	-2.391	0.406
H6	0.888	1.197	-1.172
H7	-0.888	1.197	-1.172
H8	0.888	-1.197	-1.172
H9	-0.888	-1.197	-1.172
H10	0.000	3.315	-0.181
H11	0.000	-3.315	-0.181
H12	-0.887	2.387	1.047
H13	0.887	2.387	1.047
H14	0.887	-2.387	1.047
H15	-0.887	-2.387	1.047

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4242	1.4242	2.3944	2.3944	2.0756	2.0756	2.0756	2.0756	3.3459	3.3459	2.6614	2.6614	2.6614	2.6614
C2	1.4242		2.3710	1.5177	3.6933	1.1040	1.1040	2.6255	2.6255	2.1556	4.5129	2.1617	2.1617	3.9990	3.9990
C3	1.4242	2.3710		3.6933	1.5177	2.6255	2.6255	1.1040	1.1040	4.5129	2.1556	3.9990	3.9990	2.1617	2.1617
C4	2.3944	1.5177	3.6933		4.7814	2.1691	2.1691	4.0185	4.0185	1.0950	5.7358	1.0942	1.0942	4.9013	4.9013
C5	2.3944	3.6933	1.5177	4.7814		4.0185	4.0185	2.1691	2.1691	5.7358	1.0950	4.9013	4.9013	1.0942	1.0942
H6	2.0756	1.1040	2.6255	2.1691	4.0185		1.7767	2.3932	2.9807	2.5015	4.7037	3.0806	2.5174	4.2146	4.5733
H7	2.0756	1.1040	2.6255	2.1691	4.0185	1.7767		2.9807	2.3932	2.5015	4.7037	2.5174	3.0806	4.5733	4.2146
H8	2.0756	2.6255	1.1040	4.0185	2.1691	2.3932	2.9807		1.7767	4.7037	2.5015	4.5733	4.2146	2.5174	3.0806
H9	2.0756	2.6255	1.1040	4.0185	2.1691	2.9807	2.3932	1.7767		4.7037	2.5015	4.2146	4.5733	3.0806	2.5174
H10	3.3459	2.1556	4.5129	1.0950	5.7358	2.5015	2.5015	4.7037	4.7037		6.6299	1.7763	1.7763	5.8996	5.8996
H11	3.3459	4.5129	2.1556	5.7358	1.0950	4.7037	4.7037	2.5015	2.5015	6.6299		5.8996	5.8996	1.7763	1.7763
H12	2.6614	2.1617	3.9990	1.0942	4.9013	3.0806	2.5174	4.5733	4.2146	1.7763	5.8996		1.7744	5.0930	4.7739
H13	2.6614	2.1617	3.9990	1.0942	4.9013	2.5174	3.0806	4.2146	4.5733	1.7763	5.8996	1.7744		4.7739	5.0930
H14	2.6614	3.9990	2.1617	4.9013	1.0942	4.2146	4.5733	2.5174	3.0806	5.8996	1.7763	5.0930	4.7739		1.7744
H15	2.6614	3.9990	2.1617	4.9013	1.0942	4.5733	4.2146	3.0806	2.5174	5.8996	1.7763	4.7739	5.0930	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.917	O1	C2	H6	109.715
O1	C2	H7	109.715	O1	C3	C5	108.917
O1	C3	H8	109.715	O1	C3	H9	109.715
C2	O1	C3	112.697	C2	C4	H10	110.135
C2	C4	H12	110.668	C2	C4	H13	110.668
C3	C5	H11	110.135	C3	C5	H14	110.668
C3	C5	H15	110.668	C4	C2	H6	110.661
C4	C2	H7	110.661	C5	C3	H8	110.661
C5	C3	H9	110.661	H6	C2	H7	107.155
H8	C3	H9	107.155	H10	C4	H12	108.468
H10	C4	H13	108.468	H11	C5	H14	108.468
H11	C5	H15	108.468	H12	C4	H13	108.362
H14	C5	H15	108.362

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

using model chemistry: B97D3/aug-cc-pVTZ

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	-0.380
2	C	0.054
3	C	0.054
4	C	-0.540
5	C	-0.540
6	H	0.134
7	H	0.134
8	H	0.134
9	H	0.134
10	H	0.151
11	H	0.151
12	H	0.128
13	H	0.128
14	H	0.128
15	H	0.128

<r²>	178.470
(<r²>)^1/2	13.359

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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