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	hartrees
Energy at 0K	-232.175492
Energy at 298.15K	-232.186982
HF Energy	-232.175492
Nuclear repulsion energy	190.555751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3241	2952	66.46
2	A₁	3174	2890	1.77
3	A₁	3136	2856	126.20
4	A₁	1637	1491	2.01
5	A₁	1599	1456	5.86
6	A₁	1573	1432	2.13
7	A₁	1504	1370	0.19
8	A₁	1280	1166	30.21
9	A₁	1141	1039	11.03
10	A₁	930	847	8.45
11	A₁	467	425	0.16
12	A₁	206	187	0.73
13	A₂	3252	2961	0.00
14	A₂	3153	2871	0.00
15	A₂	1578	1437	0.00
16	A₂	1394	1269	0.00
17	A₂	1259	1147	0.00
18	A₂	867	789	0.00
19	A₂	272	248	0.00
20	A₂	97	88	0.00
21	B₁	3252	2961	102.93
22	B₁	3158	2876	118.18
23	B₁	1579	1438	9.90
24	B₁	1407	1282	5.57
25	B₁	1290	1175	11.29
26	B₁	882	803	0.08
27	B₁	280	255	1.77
28	B₁	117	106	5.21
29	B₂	3241	2951	29.03
30	B₂	3172	2889	52.54
31	B₂	3120	2841	5.35
32	B₂	1620	1476	1.87
33	B₂	1594	1452	0.04
34	B₂	1530	1393	56.55
35	B₂	1485	1353	30.90
36	B₂	1273	1160	249.52
37	B₂	1179	1073	1.83
38	B₂	1010	919	5.57
39	B₂	461	420	2.43

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.242
C2	0.000	1.177	-0.516
C3	0.000	-1.177	-0.516
C4	0.000	2.370	0.418
C5	0.000	-2.370	0.418
H6	0.883	1.202	-1.164
H7	-0.883	1.202	-1.164
H8	0.883	-1.202	-1.164
H9	-0.883	-1.202	-1.164
H10	0.000	3.297	-0.158
H11	0.000	-3.297	-0.158
H12	-0.884	2.357	1.055
H13	0.884	2.357	1.055
H14	0.884	-2.357	1.055
H15	-0.884	-2.357	1.055

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.3999	1.3999	2.3763	2.3763	2.0498	2.0498	2.0498	2.0498	3.3207	3.3207	2.6457	2.6457	2.6457	2.6457
C2	1.3999		2.3537	1.5153	3.6676	1.0955	1.0955	2.6189	2.6189	2.1498	4.4877	2.1551	2.1551	3.9674	3.9674
C3	1.3999	2.3537		3.6676	1.5153	2.6189	2.6189	1.0955	1.0955	4.4877	2.1498	3.9674	3.9674	2.1551	2.1551
C4	2.3763	1.5153	3.6676		4.7395	2.1558	2.1558	4.0052	4.0052	1.0912	5.6955	1.0898	1.0898	4.8509	4.8509
C5	2.3763	3.6676	1.5153	4.7395		4.0052	4.0052	2.1558	2.1558	5.6955	1.0912	4.8509	4.8509	1.0898	1.0898
H6	2.0498	1.0955	2.6189	2.1558	4.0052		1.7659	2.4041	2.9829	2.4859	4.6936	3.0633	2.5023	4.1946	4.5516
H7	2.0498	1.0955	2.6189	2.1558	4.0052	1.7659		2.9829	2.4041	2.4859	4.6936	2.5023	3.0633	4.5516	4.1946
H8	2.0498	2.6189	1.0955	4.0052	2.1558	2.4041	2.9829		1.7659	4.6936	2.4859	4.5516	4.1946	2.5023	3.0633
H9	2.0498	2.6189	1.0955	4.0052	2.1558	2.9829	2.4041	1.7659		4.6936	2.4859	4.1946	4.5516	3.0633	2.5023
H10	3.3207	2.1498	4.4877	1.0912	5.6955	2.4859	2.4859	4.6936	4.6936		6.5931	1.7708	1.7708	5.8496	5.8496
H11	3.3207	4.4877	2.1498	5.6955	1.0912	4.6936	4.6936	2.4859	2.4859	6.5931		5.8496	5.8496	1.7708	1.7708
H12	2.6457	2.1551	3.9674	1.0898	4.8509	3.0633	2.5023	4.5516	4.1946	1.7708	5.8496		1.7681	5.0349	4.7143
H13	2.6457	2.1551	3.9674	1.0898	4.8509	2.5023	3.0633	4.1946	4.5516	1.7708	5.8496	1.7681		4.7143	5.0349
H14	2.6457	3.9674	2.1551	4.8509	1.0898	4.1946	4.5516	2.5023	3.0633	5.8496	1.7708	5.0349	4.7143		1.7681
H15	2.6457	3.9674	2.1551	4.8509	1.0898	4.5516	4.1946	3.0633	2.5023	5.8496	1.7708	4.7143	5.0349	1.7681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	109.140	O1	C2	H6	109.856
O1	C2	H7	109.856	O1	C3	C5	109.140
O1	C3	H8	109.856	O1	C3	H9	109.856
C2	O1	C3	114.426	C2	C4	H10	110.069
C2	C4	H12	110.575	C2	C4	H13	110.575
C3	C5	H11	110.069	C3	C5	H14	110.575
C3	C5	H15	110.575	C4	C2	H6	110.285
C4	C2	H7	110.285	C5	C3	H8	110.285
C5	C3	H9	110.285	H6	C2	H7	107.403
H8	C3	H9	107.403	H10	C4	H12	108.567
H10	C4	H13	108.567	H11	C5	H14	108.567
H11	C5	H15	108.567	H12	C4	H13	108.426
H14	C5	H15	108.426

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

using model chemistry: HF/aug-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	-0.903
2	C	0.616
3	C	0.616
4	C	0.283
5	C	0.283
6	H	-0.150
7	H	-0.150
8	H	-0.150
9	H	-0.150
10	H	-0.050
11	H	-0.050
12	H	-0.048
13	H	-0.048
14	H	-0.048
15	H	-0.048

<r²>	176.117
(<r²>)^1/2	13.271

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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