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	hartrees
Energy at 0K	-232.162180
Energy at 298.15K	-232.173662
HF Energy	-232.162180
Nuclear repulsion energy	190.823456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3260	2960	57.11
2	A₁	3185	2892	2.99
3	A₁	3139	2850	125.27
4	A₁	1645	1493	0.57
5	A₁	1603	1456	7.05
6	A₁	1579	1434	1.90
7	A₁	1507	1368	0.01
8	A₁	1286	1167	32.44
9	A₁	1141	1036	10.65
10	A₁	935	849	9.57
11	A₁	468	425	0.21
12	A₁	204	185	0.59
13	A₂	3269	2968	0.00
14	A₂	3160	2869	0.00
15	A₂	1578	1433	0.00
16	A₂	1397	1268	0.00
17	A₂	1264	1147	0.00
18	A₂	871	791	0.00
19	A₂	274	248	0.00
20	A₂	94	85	0.00
21	B₁	3269	2969	91.32
22	B₁	3164	2873	146.16
23	B₁	1578	1433	9.18
24	B₁	1408	1278	5.51
25	B₁	1295	1176	14.95
26	B₁	886	805	0.03
27	B₁	285	259	2.28
28	B₁	115	104	5.02
29	B₂	3259	2960	31.15
30	B₂	3184	2891	48.65
31	B₂	3123	2836	3.48
32	B₂	1624	1475	3.24
33	B₂	1598	1451	0.39
34	B₂	1534	1393	73.79
35	B₂	1490	1353	42.09
36	B₂	1290	1171	254.06
37	B₂	1181	1072	1.98
38	B₂	1014	921	5.20
39	B₂	460	418	2.76

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.232
C2	0.000	1.176	-0.520
C3	0.000	-1.176	-0.520
C4	0.000	2.359	0.424
C5	0.000	-2.359	0.424
H6	0.883	1.208	-1.172
H7	-0.883	1.208	-1.172
H8	0.883	-1.208	-1.172
H9	-0.883	-1.208	-1.172
H10	0.000	3.296	-0.136
H11	0.000	-3.296	-0.136
H12	-0.884	2.335	1.063
H13	0.884	2.335	1.063
H14	0.884	-2.335	1.063
H15	-0.884	-2.335	1.063

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.3961	1.3961	2.3665	2.3665	2.0517	2.0517	2.0517	2.0517	3.3167	3.3167	2.6315	2.6315	2.6315	2.6315
C2	1.3961		2.3514	1.5138	3.6584	1.0976	1.0976	2.6237	2.6237	2.1549	4.4883	2.1527	2.1527	3.9517	3.9517
C3	1.3961	2.3514		3.6584	1.5138	2.6237	2.6237	1.0976	1.0976	4.4883	2.1549	3.9517	3.9517	2.1527	2.1527
C4	2.3665	1.5138	3.6584		4.7174	2.1567	2.1567	4.0055	4.0055	1.0923	5.6826	1.0913	1.0913	4.8189	4.8189
C5	2.3665	3.6584	1.5138	4.7174		4.0055	4.0055	2.1567	2.1567	5.6826	1.0923	4.8189	4.8189	1.0913	1.0913
H6	2.0517	1.0976	2.6237	2.1567	4.0055		1.7660	2.4151	2.9919	2.4927	4.7047	3.0642	2.5033	4.1887	4.5462
H7	2.0517	1.0976	2.6237	2.1567	4.0055	1.7660		2.9919	2.4151	2.4927	4.7047	2.5033	3.0642	4.5462	4.1887
H8	2.0517	2.6237	1.0976	4.0055	2.1567	2.4151	2.9919		1.7660	4.7047	2.4927	4.5462	4.1887	2.5033	3.0642
H9	2.0517	2.6237	1.0976	4.0055	2.1567	2.9919	2.4151	1.7660		4.7047	2.4927	4.1887	4.5462	3.0642	2.5033
H10	3.3167	2.1549	4.4883	1.0923	5.6826	2.4927	2.4927	4.7047	4.7047		6.5923	1.7735	1.7735	5.8251	5.8251
H11	3.3167	4.4883	2.1549	5.6826	1.0923	4.7047	4.7047	2.4927	2.4927	6.5923		5.8251	5.8251	1.7735	1.7735
H12	2.6315	2.1527	3.9517	1.0913	4.8189	3.0642	2.5033	4.5462	4.1887	1.7735	5.8251		1.7683	4.9937	4.6701
H13	2.6315	2.1527	3.9517	1.0913	4.8189	2.5033	3.0642	4.1887	4.5462	1.7735	5.8251	1.7683		4.6701	4.9937
H14	2.6315	3.9517	2.1527	4.8189	1.0913	4.1887	4.5462	2.5033	3.0642	5.8251	1.7735	4.9937	4.6701		1.7683
H15	2.6315	3.9517	2.1527	4.8189	1.0913	4.5462	4.1887	3.0642	2.5033	5.8251	1.7735	4.6701	4.9937	1.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.763	O1	C2	H6	110.144
O1	C2	H7	110.144	O1	C3	C5	108.763
O1	C3	H8	110.144	O1	C3	H9	110.144
C2	O1	C3	114.735	C2	C4	H10	110.514
C2	C4	H12	110.399	C2	C4	H13	110.399
C3	C5	H11	110.514	C3	C5	H14	110.399
C3	C5	H15	110.399	C4	C2	H6	110.336
C4	C2	H7	110.336	C5	C3	H8	110.336
C5	C3	H9	110.336	H6	C2	H7	107.113
H8	C3	H9	107.113	H10	C4	H12	108.618
H10	C4	H13	108.618	H11	C5	H14	108.618
H11	C5	H15	108.618	H12	C4	H13	108.226
H14	C5	H15	108.226

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

using model chemistry: HF/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	CHELPG
1	O	-0.483	-0.507
2	C	0.165	0.418
3	C	0.165	0.418
4	C	-0.039	-0.201
5	C	-0.039	-0.201
6	H	0.007	-0.054
7	H	0.007	-0.054
8	H	0.007	-0.054
9	H	0.007	-0.054
10	H	0.024	0.034
11	H	0.024	0.034
12	H	0.039	0.056
13	H	0.039	0.056
14	H	0.039	0.056
15	H	0.039	0.056

<r²>	175.193
(<r²>)^1/2	13.236

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

using model chemistry: HF/cc-pVDZ

States and conformations

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