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	hartrees
Energy at 0K	-233.357145
Energy at 298.15K	-233.368203
HF Energy	-233.357145
Nuclear repulsion energy	188.839500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3080	3038	30.43
2	A₁	2996	2955	8.72
3	A₁	2890	2850	110.16
4	A₁	1505	1484	0.77
5	A₁	1469	1448	3.04
6	A₁	1410	1391	6.85
7	A₁	1360	1341	0.33
8	A₁	1151	1135	18.76
9	A₁	1039	1025	11.68
10	A₁	837	826	5.30
11	A₁	433	427	0.02
12	A₁	189	186	0.66
13	A₂	3081	3039	0.00
14	A₂	2910	2870	0.00
15	A₂	1449	1429	0.00
16	A₂	1253	1236	0.00
17	A₂	1136	1120	0.00
18	A₂	799	788	0.00
19	A₂	248	244	0.00
20	A₂	108	107	0.00
21	B₁	3082	3039	47.38
22	B₁	2905	2866	139.78
23	B₁	1449	1429	10.45
24	B₁	1259	1241	2.42
25	B₁	1170	1154	11.64
26	B₁	808	797	1.83
27	B₁	250	247	1.28
28	B₁	105	104	3.51
29	B₂	3080	3038	14.27
30	B₂	2996	2955	24.79
31	B₂	2876	2837	13.64
32	B₂	1482	1462	2.81
33	B₂	1465	1445	4.23
34	B₂	1374	1355	36.24
35	B₂	1335	1317	43.90
36	B₂	1137	1121	202.09
37	B₂	1071	1056	4.82
38	B₂	928	916	4.78
39	B₂	421	415	3.09

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.273
C2	0.000	1.181	-0.520
C3	0.000	-1.181	-0.520
C4	0.000	2.385	0.410
C5	0.000	-2.385	0.410
H6	0.893	1.201	-1.185
H7	-0.893	1.201	-1.185
H8	0.893	-1.201	-1.185
H9	-0.893	-1.201	-1.185
H10	0.000	3.321	-0.170
H11	0.000	-3.321	-0.170
H12	-0.892	2.374	1.056
H13	0.892	2.374	1.056
H14	0.892	-2.374	1.056
H15	-0.892	-2.374	1.056

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4225	1.4225	2.3887	2.3887	2.0892	2.0892	2.0892	2.0892	3.3507	3.3507	2.6543	2.6543	2.6543	2.6543
C2	1.4225		2.3623	1.5210	3.6852	1.1134	1.1134	2.6294	2.6294	2.1686	4.5161	2.1685	2.1685	3.9899	3.9899
C3	1.4225	2.3623		3.6852	1.5210	2.6294	2.6294	1.1134	1.1134	4.5161	2.1686	3.9899	3.9899	2.1685	2.1685
C4	2.3887	1.5210	3.6852		4.7695	2.1778	2.1778	4.0247	4.0247	1.1016	5.7355	1.1013	1.1013	4.8846	4.8846
C5	2.3887	3.6852	1.5210	4.7695		4.0247	4.0247	2.1778	2.1778	5.7355	1.1016	4.8846	4.8846	1.1013	1.1013
H6	2.0892	1.1134	2.6294	2.1778	4.0247		1.7854	2.4019	2.9928	2.5147	4.7200	3.0957	2.5296	4.2195	4.5813
H7	2.0892	1.1134	2.6294	2.1778	4.0247	1.7854		2.9928	2.4019	2.5147	4.7200	2.5296	3.0957	4.5813	4.2195
H8	2.0892	2.6294	1.1134	4.0247	2.1778	2.4019	2.9928		1.7854	4.7200	2.5147	4.5813	4.2195	2.5296	3.0957
H9	2.0892	2.6294	1.1134	4.0247	2.1778	2.9928	2.4019	1.7854		4.7200	2.5147	4.2195	4.5813	3.0957	2.5296
H10	3.3507	2.1686	4.5161	1.1016	5.7355	2.5147	2.5147	4.7200	4.7200		6.6427	1.7876	1.7876	5.8938	5.8938
H11	3.3507	4.5161	2.1686	5.7355	1.1016	4.7200	4.7200	2.5147	2.5147	6.6427		5.8938	5.8938	1.7876	1.7876
H12	2.6543	2.1685	3.9899	1.1013	4.8846	3.0957	2.5296	4.5813	4.2195	1.7876	5.8938		1.7837	5.0722	4.7483
H13	2.6543	2.1685	3.9899	1.1013	4.8846	2.5296	3.0957	4.2195	4.5813	1.7876	5.8938	1.7837		4.7483	5.0722
H14	2.6543	3.9899	2.1685	4.8846	1.1013	4.2195	4.5813	2.5296	3.0957	5.8938	1.7876	5.0722	4.7483		1.7837
H15	2.6543	3.9899	2.1685	4.8846	1.1013	4.5813	4.2195	3.0957	2.5296	5.8938	1.7876	4.7483	5.0722	1.7837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.442	O1	C2	H6	110.347
O1	C2	H7	110.347	O1	C3	C5	108.442
O1	C3	H8	110.347	O1	C3	H9	110.347
C2	O1	C3	112.264	C2	C4	H10	110.544
C2	C4	H12	110.550	C2	C4	H13	110.550
C3	C5	H11	110.544	C3	C5	H14	110.550
C3	C5	H15	110.550	C4	C2	H6	110.560
C4	C2	H7	110.560	C5	C3	H8	110.560
C5	C3	H9	110.560	H6	C2	H7	106.591
H8	C3	H9	106.591	H10	C4	H12	108.482
H10	C4	H13	108.482	H11	C5	H14	108.482
H11	C5	H15	108.482	H12	C4	H13	108.156
H14	C5	H15	108.156

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

using model chemistry: PBEPBE/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	-0.436
2	C	0.030
3	C	0.030
4	C	-0.384
5	C	-0.384
6	H	0.092
7	H	0.092
8	H	0.092
9	H	0.092
10	H	0.119
11	H	0.119
12	H	0.135
13	H	0.135
14	H	0.135
15	H	0.135

<r²>	177.766
(<r²>)^1/2	13.333

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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