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	hartrees
Energy at 0K	-233.609548
Energy at 298.15K	-233.620573
HF Energy	-233.609548
Nuclear repulsion energy	187.864235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3025	3014	47.20
2	A₁	2963	2952	9.31
3	A₁	2874	2863	124.86
4	A₁	1499	1493	1.12
5	A₁	1469	1464	2.73
6	A₁	1406	1400	6.87
7	A₁	1370	1364	1.08
8	A₁	1137	1132	13.61
9	A₁	1001	997	9.99
10	A₁	820	817	10.79
11	A₁	423	422	0.02
12	A₁	188	187	0.46
13	A₂	3030	3018	0.00
14	A₂	2886	2875	0.00
15	A₂	1448	1442	0.00
16	A₂	1255	1250	0.00
17	A₂	1134	1130	0.00
18	A₂	803	800	0.00
19	A₂	243	242	0.00
20	A₂	100	99	0.00
21	B₁	3030	3018	72.23
22	B₁	2884	2873	147.58
23	B₁	1448	1442	12.86
24	B₁	1259	1254	3.01
25	B₁	1165	1161	11.16
26	B₁	814	811	0.60
27	B₁	247	246	1.58
28	B₁	100	99	3.76
29	B₂	3025	3013	21.21
30	B₂	2963	2951	35.77
31	B₂	2861	2850	13.36
32	B₂	1482	1476	1.56
33	B₂	1465	1460	5.27
34	B₂	1375	1370	21.52
35	B₂	1341	1336	43.29
36	B₂	1084	1080	123.60
37	B₂	1050	1046	93.91
38	B₂	911	907	9.68
39	B₂	422	420	2.87

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.262
C2	0.000	1.199	-0.529
C3	0.000	-1.199	-0.529
C4	0.000	2.398	0.420
C5	0.000	-2.398	0.420
H6	0.893	1.220	-1.186
H7	-0.893	1.220	-1.186
H8	0.893	-1.220	-1.186
H9	-0.893	-1.220	-1.186
H10	0.000	3.339	-0.149
H11	0.000	-3.339	-0.149
H12	-0.890	2.379	1.063
H13	0.890	2.379	1.063
H14	0.890	-2.379	1.063
H15	-0.890	-2.379	1.063

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4361	1.4361	2.4032	2.4032	2.0933	2.0933	2.0933	2.0933	3.3646	3.3646	2.6633	2.6633	2.6633	2.6633
C2	1.4361		2.3977	1.5288	3.7198	1.1087	1.1087	2.6612	2.6612	2.1739	4.5540	2.1724	2.1724	4.0157	4.0157
C3	1.4361	2.3977		3.7198	1.5288	2.6612	2.6612	1.1087	1.1087	4.5540	2.1739	4.0157	4.0157	2.1724	2.1724
C4	2.4032	1.5288	3.7198		4.7960	2.1819	2.1819	4.0580	4.0580	1.0999	5.7655	1.0988	1.0988	4.9014	4.9014
C5	2.4032	3.7198	1.5288	4.7960		4.0580	4.0580	2.1819	2.1819	5.7655	1.0999	4.9014	4.9014	1.0988	1.0988
H6	2.0933	1.1087	2.6612	2.1819	4.0580		1.7858	2.4409	3.0244	2.5221	4.7606	3.0950	2.5297	4.2441	4.6034
H7	2.0933	1.1087	2.6612	2.1819	4.0580	1.7858		3.0244	2.4409	2.5221	4.7606	2.5297	3.0950	4.6034	4.2441
H8	2.0933	2.6612	1.1087	4.0580	2.1819	2.4409	3.0244		1.7858	4.7606	2.5221	4.6034	4.2441	2.5297	3.0950
H9	2.0933	2.6612	1.1087	4.0580	2.1819	3.0244	2.4409	1.7858		4.7606	2.5221	4.2441	4.6034	3.0950	2.5297
H10	3.3646	2.1739	4.5540	1.0999	5.7655	2.5221	2.5221	4.7606	4.7606		6.6787	1.7848	1.7848	5.9126	5.9126
H11	3.3646	4.5540	2.1739	5.7655	1.0999	4.7606	4.7606	2.5221	2.5221	6.6787		5.9126	5.9126	1.7848	1.7848
H12	2.6633	2.1724	4.0157	1.0988	4.9014	3.0950	2.5297	4.6034	4.2441	1.7848	5.9126		1.7805	5.0797	4.7574
H13	2.6633	2.1724	4.0157	1.0988	4.9014	2.5297	3.0950	4.2441	4.6034	1.7848	5.9126	1.7805		4.7574	5.0797
H14	2.6633	4.0157	2.1724	4.9014	1.0988	4.2441	4.6034	2.5297	3.0950	5.9126	1.7848	5.0797	4.7574		1.7805
H15	2.6633	4.0157	2.1724	4.9014	1.0988	4.6034	4.2441	3.0950	2.5297	5.9126	1.7848	4.7574	5.0797	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.260	O1	C2	H6	110.028
O1	C2	H7	110.028	O1	C3	C5	108.260
O1	C3	H8	110.028	O1	C3	H9	110.028
C2	O1	C3	113.194	C2	C4	H10	110.520
C2	C4	H12	110.465	C2	C4	H13	110.465
C3	C5	H11	110.520	C3	C5	H14	110.465
C3	C5	H15	110.465	C4	C2	H6	110.623
C4	C2	H7	110.623	C5	C3	H8	110.623
C5	C3	H9	110.623	H6	C2	H7	107.284
H8	C3	H9	107.284	H10	C4	H12	108.544
H10	C4	H13	108.544	H11	C5	H14	108.544
H11	C5	H15	108.544	H12	C4	H13	108.233
H14	C5	H15	108.233

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

using model chemistry: BLYP/6-311G**

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	-0.346
2	C	-0.011
3	C	-0.011
4	C	-0.291
5	C	-0.291
6	H	0.081
7	H	0.081
8	H	0.081
9	H	0.081
10	H	0.096
11	H	0.096
12	H	0.108
13	H	0.108
14	H	0.108
15	H	0.108

<r²>	180.387
(<r²>)^1/2	13.431

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

using model chemistry: BLYP/6-311G**

States and conformations

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