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	hartrees
Energy at 0K	-233.627502
Energy at 298.15K	-233.638710
Nuclear repulsion energy	190.188305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3124	3007	44.52
2	A₁	3049	2935	9.27
3	A₁	2972	2861	125.08
4	A₁	1551	1493	2.96
5	A₁	1515	1459	4.31
6	A₁	1463	1408	5.28
7	A₁	1408	1355	1.97
8	A₁	1191	1147	22.49
9	A₁	1070	1030	13.64
10	A₁	868	836	7.05
11	A₁	442	426	0.03
12	A₁	194	186	0.52
13	A₂	3127	3010	0.00
14	A₂	2991	2879	0.00
15	A₂	1495	1440	0.00
16	A₂	1306	1257	0.00
17	A₂	1177	1133	0.00
18	A₂	820	790	0.00
19	A₂	254	244	0.00
20	A₂	103	100	0.00
21	B₁	3127	3010	70.95
22	B₁	2989	2877	143.10
23	B₁	1496	1440	16.18
24	B₁	1314	1265	4.48
25	B₁	1207	1162	13.14
26	B₁	834	803	0.90
27	B₁	260	251	1.61
28	B₁	108	104	4.20
29	B₂	3124	3007	22.37
30	B₂	3048	2934	34.62
31	B₂	2959	2849	9.79
32	B₂	1531	1474	2.66
33	B₂	1512	1455	3.61
34	B₂	1422	1369	51.57
35	B₂	1389	1337	26.76
36	B₂	1177	1133	219.21
37	B₂	1107	1066	4.40
38	B₂	955	920	4.87
39	B₂	434	418	3.55

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.261
C2	0.000	1.176	-0.517
C3	0.000	-1.176	-0.517
C4	0.000	2.370	0.410
C5	0.000	-2.370	0.410
H6	0.886	1.194	-1.173
H7	-0.886	1.194	-1.173
H8	0.886	-1.194	-1.173
H9	-0.886	-1.194	-1.173
H10	0.000	3.303	-0.160
H11	0.000	-3.303	-0.160
H12	-0.885	2.358	1.052
H13	0.885	2.358	1.052
H14	0.885	-2.358	1.052
H15	-0.885	-2.358	1.052

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4100	1.4100	2.3748	2.3748	2.0659	2.0659	2.0659	2.0659	3.3301	3.3301	2.6396	2.6396	2.6396	2.6396
C2	1.4100		2.3515	1.5123	3.6652	1.1025	1.1025	2.6138	2.6138	2.1574	4.4933	2.1546	2.1546	3.9662	3.9662
C3	1.4100	2.3515		3.6652	1.5123	2.6138	2.6138	1.1025	1.1025	4.4933	2.1574	3.9662	3.9662	2.1546	2.1546
C4	2.3748	1.5123	3.6652		4.7403	2.1622	2.1622	3.9996	3.9996	1.0937	5.7021	1.0928	1.0928	4.8526	4.8526
C5	2.3748	3.6652	1.5123	4.7403		3.9996	3.9996	2.1622	2.1622	5.7021	1.0937	4.8526	4.8526	1.0928	1.0928
H6	2.0659	1.1025	2.6138	2.1622	3.9996		1.7720	2.3885	2.9740	2.5020	4.6946	3.0725	2.5111	4.1915	4.5501
H7	2.0659	1.1025	2.6138	2.1622	3.9996	1.7720		2.9740	2.3885	2.5020	4.6946	2.5111	3.0725	4.5501	4.1915
H8	2.0659	2.6138	1.1025	3.9996	2.1622	2.3885	2.9740		1.7720	4.6946	2.5020	4.5501	4.1915	2.5111	3.0725
H9	2.0659	2.6138	1.1025	3.9996	2.1622	2.9740	2.3885	1.7720		4.6946	2.5020	4.1915	4.5501	3.0725	2.5111
H10	3.3301	2.1574	4.4933	1.0937	5.7021	2.5020	2.5020	4.6946	4.6946		6.6067	1.7735	1.7735	5.8566	5.8566
H11	3.3301	4.4933	2.1574	5.7021	1.0937	4.6946	4.6946	2.5020	2.5020	6.6067		5.8566	5.8566	1.7735	1.7735
H12	2.6396	2.1546	3.9662	1.0928	4.8526	3.0725	2.5111	4.5501	4.1915	1.7735	5.8566		1.7690	5.0365	4.7156
H13	2.6396	2.1546	3.9662	1.0928	4.8526	2.5111	3.0725	4.1915	4.5501	1.7735	5.8566	1.7690		4.7156	5.0365
H14	2.6396	3.9662	2.1546	4.8526	1.0928	4.1915	4.5501	2.5111	3.0725	5.8566	1.7735	5.0365	4.7156		1.7690
H15	2.6396	3.9662	2.1546	4.8526	1.0928	4.5501	4.1915	3.0725	2.5111	5.8566	1.7735	4.7156	5.0365	1.7690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.667	O1	C2	H6	110.021
O1	C2	H7	110.021	O1	C3	C5	108.667
O1	C3	H8	110.021	O1	C3	H9	110.021
C2	O1	C3	112.997	C2	C4	H10	110.738
C2	C4	H12	110.563	C2	C4	H13	110.563
C3	C5	H11	110.738	C3	C5	H14	110.563
C3	C5	H15	110.563	C4	C2	H6	110.589
C4	C2	H7	110.589	C5	C3	H8	110.589
C5	C3	H9	110.589	H6	C2	H7	106.950
H8	C3	H9	106.950	H10	C4	H12	108.411
H10	C4	H13	108.411	H11	C5	H14	108.411
H11	C5	H15	108.411	H12	C4	H13	108.068
H14	C5	H15	108.068

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

using model chemistry: B3PW91/6-311G*

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	-0.334
2	C	-0.211
3	C	-0.211
4	C	-0.667
5	C	-0.667
6	H	0.188
7	H	0.188
8	H	0.188
9	H	0.188
10	H	0.215
11	H	0.215
12	H	0.227
13	H	0.227
14	H	0.227
15	H	0.227

<r²>	176.065
(<r²>)^1/2	13.269

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

using model chemistry: B3PW91/6-311G*

States and conformations

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