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	hartrees
Energy at 0K	-233.664132
Energy at 298.15K	-233.675308
Nuclear repulsion energy	190.316678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3120	3000	34.30
2	A₁	3045	2928	8.13
3	A₁	2963	2850	110.61
4	A₁	1530	1471	2.60
5	A₁	1495	1438	3.45
6	A₁	1445	1390	6.21
7	A₁	1396	1342	1.05
8	A₁	1182	1136	21.83
9	A₁	1066	1025	12.65
10	A₁	861	828	5.95
11	A₁	439	422	0.04
12	A₁	192	185	0.59
13	A₂	3122	3002	0.00
14	A₂	2983	2869	0.00
15	A₂	1476	1419	0.00
16	A₂	1292	1242	0.00
17	A₂	1166	1121	0.00
18	A₂	814	783	0.00
19	A₂	243	234	0.00
20	A₂	106	102	0.00
21	B₁	3122	3002	53.14
22	B₁	2979	2865	116.91
23	B₁	1476	1420	12.64
24	B₁	1297	1247	4.31
25	B₁	1196	1150	11.37
26	B₁	826	794	1.12
27	B₁	248	238	1.39
28	B₁	105	101	3.72
29	B₂	3119	3000	15.41
30	B₂	3044	2928	28.97
31	B₂	2952	2839	10.76
32	B₂	1511	1453	2.37
33	B₂	1492	1435	2.34
34	B₂	1406	1352	34.32
35	B₂	1375	1322	28.12
36	B₂	1172	1127	218.81
37	B₂	1099	1056	4.63
38	B₂	949	912	4.19
39	B₂	432	416	2.99

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.264
C2	0.000	1.175	-0.514
C3	0.000	-1.175	-0.514
C4	0.000	2.372	0.407
C5	0.000	-2.372	0.407
H6	0.884	1.192	-1.169
H7	-0.884	1.192	-1.169
H8	0.884	-1.192	-1.169
H9	-0.884	-1.192	-1.169
H10	0.000	3.298	-0.171
H11	0.000	-3.298	-0.171
H12	-0.884	2.365	1.047
H13	0.884	2.365	1.047
H14	0.884	-2.365	1.047
H15	-0.884	-2.365	1.047

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4093	1.4093	2.3767	2.3767	2.0632	2.0632	2.0632	2.0632	3.3264	3.3264	2.6433	2.6433	2.6433	2.6433
C2	1.4093		2.3503	1.5107	3.6652	1.1005	1.1005	2.6108	2.6108	2.1501	4.4860	2.1523	2.1523	3.9686	3.9686
C3	1.4093	2.3503		3.6652	1.5107	2.6108	2.6108	1.1005	1.1005	4.4860	2.1501	3.9686	3.9686	2.1523	2.1523
C4	2.3767	1.5107	3.6652		4.7447	2.1583	2.1583	3.9967	3.9967	1.0915	5.6996	1.0908	1.0908	4.8614	4.8614
C5	2.3767	3.6652	1.5107	4.7447		3.9967	3.9967	2.1583	2.1583	5.6996	1.0915	4.8614	4.8614	1.0908	1.0908
H6	2.0632	1.1005	2.6108	2.1583	3.9967		1.7686	2.3849	2.9691	2.4919	4.6839	3.0675	2.5066	4.1910	4.5487
H7	2.0632	1.1005	2.6108	2.1583	3.9967	1.7686		2.9691	2.3849	2.4919	4.6839	2.5066	3.0675	4.5487	4.1910
H8	2.0632	2.6108	1.1005	3.9967	2.1583	2.3849	2.9691		1.7686	4.6839	2.4919	4.5487	4.1910	2.5066	3.0675
H9	2.0632	2.6108	1.1005	3.9967	2.1583	2.9691	2.3849	1.7686		4.6839	2.4919	4.1910	4.5487	3.0675	2.5066
H10	3.3264	2.1501	4.4860	1.0915	5.6996	2.4919	2.4919	4.6839	4.6839		6.5956	1.7704	1.7704	5.8594	5.8594
H11	3.3264	4.4860	2.1501	5.6996	1.0915	4.6839	4.6839	2.4919	2.4919	6.5956		5.8594	5.8594	1.7704	1.7704
H12	2.6433	2.1523	3.9686	1.0908	4.8614	3.0675	2.5066	4.5487	4.1910	1.7704	5.8594		1.7676	5.0496	4.7302
H13	2.6433	2.1523	3.9686	1.0908	4.8614	2.5066	3.0675	4.1910	4.5487	1.7704	5.8594	1.7676		4.7302	5.0496
H14	2.6433	3.9686	2.1523	4.8614	1.0908	4.1910	4.5487	2.5066	3.0675	5.8594	1.7704	5.0496	4.7302		1.7676
H15	2.6433	3.9686	2.1523	4.8614	1.0908	4.5487	4.1910	3.0675	2.5066	5.8594	1.7704	4.7302	5.0496	1.7676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.918	O1	C2	H6	109.973
O1	C2	H7	109.973	O1	C3	C5	108.918
O1	C3	H8	109.973	O1	C3	H9	109.973
C2	O1	C3	112.993	C2	C4	H10	110.406
C2	C4	H12	110.617	C2	C4	H13	110.617
C3	C5	H11	110.406	C3	C5	H14	110.617
C3	C5	H15	110.617	C4	C2	H6	110.514
C4	C2	H7	110.514	C5	C3	H8	110.514
C5	C3	H9	110.514	H6	C2	H7	106.936
H8	C3	H9	106.936	H10	C4	H12	108.444
H10	C4	H13	108.444	H11	C5	H14	108.444
H11	C5	H15	108.444	H12	C4	H13	108.236
H14	C5	H15	108.236

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

using model chemistry: B3PW91/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	-0.287
2	C	0.046
3	C	0.046
4	C	-0.264
5	C	-0.264
6	H	0.047
7	H	0.047
8	H	0.047
9	H	0.047
10	H	0.082
11	H	0.082
12	H	0.093
13	H	0.093
14	H	0.093
15	H	0.093

<r²>	176.022
(<r²>)^1/2	13.267

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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