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	hartrees
Energy at 0K	-233.537979
Energy at 298.15K	-233.549220
HF Energy	-233.537979
Nuclear repulsion energy	190.366512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3174	3006	28.99
2	A₁	3096	2932	4.94
3	A₁	3024	2864	92.39
4	A₁	1572	1489	0.43
5	A₁	1535	1453	4.48
6	A₁	1487	1408	6.03
7	A₁	1427	1351	0.40
8	A₁	1213	1149	26.66
9	A₁	1095	1037	10.72
10	A₁	885	838	5.91
11	A₁	452	428	0.17
12	A₁	199	188	0.75
13	A₂	3183	3014	0.00
14	A₂	3051	2889	0.00
15	A₂	1519	1438	0.00
16	A₂	1315	1245	0.00
17	A₂	1189	1126	0.00
18	A₂	821	778	0.00
19	A₂	252	239	0.00
20	A₂	111	105	0.00
21	B₁	3183	3014	44.70
22	B₁	3049	2887	124.21
23	B₁	1519	1439	9.72
24	B₁	1324	1254	4.49
25	B₁	1221	1156	13.98
26	B₁	836	791	0.64
27	B₁	258	245	1.56
28	B₁	99	94	4.27
29	B₂	3174	3005	13.77
30	B₂	3095	2931	23.73
31	B₂	3015	2855	7.80
32	B₂	1551	1469	3.60
33	B₂	1532	1451	1.64
34	B₂	1447	1370	50.36
35	B₂	1405	1330	46.48
36	B₂	1228	1163	196.31
37	B₂	1120	1061	1.19
38	B₂	968	917	2.86
39	B₂	437	414	3.49

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.261
C2	0.000	1.171	-0.520
C3	0.000	-1.171	-0.520
C4	0.000	2.366	0.413
C5	0.000	-2.366	0.413
H6	0.887	1.189	-1.175
H7	-0.887	1.189	-1.175
H8	0.887	-1.189	-1.175
H9	-0.887	-1.189	-1.175
H10	0.000	3.300	-0.156
H11	0.000	-3.300	-0.156
H12	-0.886	2.344	1.052
H13	0.886	2.344	1.052
H14	0.886	-2.344	1.052
H15	-0.886	-2.344	1.052

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4079	1.4079	2.3708	2.3708	2.0643	2.0643	2.0643	2.0643	3.3262	3.3262	2.6280	2.6280	2.6280	2.6280
C2	1.4079		2.3429	1.5156	3.6583	1.1025	1.1025	2.6051	2.6051	2.1594	4.4862	2.1523	2.1523	3.9518	3.9518
C3	1.4079	2.3429		3.6583	1.5156	2.6051	2.6051	1.1025	1.1025	4.4862	2.1594	3.9518	3.9518	2.1523	2.1523
C4	2.3708	1.5156	3.6583		4.7319	2.1661	2.1661	3.9931	3.9931	1.0935	5.6944	1.0929	1.0929	4.8352	4.8352
C5	2.3708	3.6583	1.5156	4.7319		3.9931	3.9931	2.1661	2.1661	5.6944	1.0935	4.8352	4.8352	1.0929	1.0929
H6	2.0643	1.1025	2.6051	2.1661	3.9931		1.7737	2.3780	2.9666	2.5061	4.6877	3.0720	2.5088	4.1765	4.5372
H7	2.0643	1.1025	2.6051	2.1661	3.9931	1.7737		2.9666	2.3780	2.5061	4.6877	2.5088	3.0720	4.5372	4.1765
H8	2.0643	2.6051	1.1025	3.9931	2.1661	2.3780	2.9666		1.7737	4.6877	2.5061	4.5372	4.1765	2.5088	3.0720
H9	2.0643	2.6051	1.1025	3.9931	2.1661	2.9666	2.3780	1.7737		4.6877	2.5061	4.1765	4.5372	3.0720	2.5088
H10	3.3262	2.1594	4.4862	1.0935	5.6944	2.5061	2.5061	4.6877	4.6877		6.5998	1.7772	1.7772	5.8396	5.8396
H11	3.3262	4.4862	2.1594	5.6944	1.0935	4.6877	4.6877	2.5061	2.5061	6.5998		5.8396	5.8396	1.7772	1.7772
H12	2.6280	2.1523	3.9518	1.0929	4.8352	3.0720	2.5088	4.5372	4.1765	1.7772	5.8396		1.7722	5.0121	4.6883
H13	2.6280	2.1523	3.9518	1.0929	4.8352	2.5088	3.0720	4.1765	4.5372	1.7772	5.8396	1.7722		4.6883	5.0121
H14	2.6280	3.9518	2.1523	4.8352	1.0929	4.1765	4.5372	2.5088	3.0720	5.8396	1.7772	5.0121	4.6883		1.7722
H15	2.6280	3.9518	2.1523	4.8352	1.0929	4.5372	4.1765	3.0720	2.5088	5.8396	1.7772	4.6883	5.0121	1.7722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.322	O1	C2	H6	110.040
O1	C2	H7	110.040	O1	C3	C5	108.322
O1	C3	H8	110.040	O1	C3	H9	110.040
C2	O1	C3	112.618	C2	C4	H10	110.674
C2	C4	H12	110.144	C2	C4	H13	110.144
C3	C5	H11	110.674	C3	C5	H14	110.144
C3	C5	H15	110.144	C4	C2	H6	110.669
C4	C2	H7	110.669	C5	C3	H8	110.669
C5	C3	H9	110.669	H6	C2	H7	107.105
H8	C3	H9	107.105	H10	C4	H12	108.743
H10	C4	H13	108.743	H11	C5	H14	108.743
H11	C5	H15	108.743	H12	C4	H13	108.336
H14	C5	H15	108.336

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

using model chemistry: M06-2X/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	-0.497
2	C	-0.027
3	C	-0.027
4	C	-0.492
5	C	-0.492
6	H	0.131
7	H	0.131
8	H	0.131
9	H	0.131
10	H	0.158
11	H	0.158
12	H	0.174
13	H	0.174
14	H	0.174
15	H	0.174

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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