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	hartrees
Energy at 0K	-228.079347
Energy at 298.15K	-228.087741
Nuclear repulsion energy	173.025939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3831	3128	0.53
2	A	3763	3073	0.44
3	A	3760	3070	0.42
4	A	3690	3013	1.97
5	A	3663	2991	9.11
6	A	3654	2984	66.88
7	A	3576	2920	0.39
8	A	3550	2899	9.25
9	A	2064	1685	81.07
10	A	1841	1503	5.34
11	A	1819	1486	3.90
12	A	1816	1483	1.33
13	A	1736	1418	12.83
14	A	1706	1393	11.13
15	A	1663	1358	95.93
16	A	1547	1263	11.36
17	A	1510	1233	0.57
18	A	1406	1148	46.30
19	A	1379	1126	33.81
20	A	1346	1099	10.64
21	A	1269	1036	0.21
22	A	1202	981	5.67
23	A	1146	936	4.74
24	A	1092	891	26.08
25	A	1020	833	6.66
26	A	950	776	0.33
27	A	790	645	0.93
28	A	549	449	0.80
29	A	480	392	0.44
30	A	238	195	0.22
31	A	226	185	0.64
32	A	101	83	2.63
33	A	39	32	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	-2.444	-0.273	0.056
H2	-2.500	-1.345	0.167
H3	-3.374	0.272	0.041
C4	-1.294	0.348	-0.065
H5	-1.236	1.429	-0.180
O6	-0.083	-0.351	-0.088
C7	1.044	0.528	0.082
H8	0.999	1.036	1.053
H9	1.053	1.301	-0.696
C10	2.328	-0.320	-0.006
H11	2.333	-1.077	0.771
H12	2.387	-0.814	-0.971
H13	3.200	0.314	0.117

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0793	1.0784	1.3118	2.1006	2.3661	3.5786	3.8154	3.9072	4.7718	4.8959	4.9680	5.6744
H2	1.0793		1.8423	2.0914	3.0687	2.6261	4.0096	4.3239	4.5132	4.9384	4.8777	5.0460	5.9370
H3	1.0784	1.8423		2.0837	2.4412	3.3517	4.4257	4.5531	4.6039	5.7324	5.9092	5.9490	6.5746
C4	1.3118	2.0914	2.0837		1.0893	1.3984	2.3500	2.6421	2.6105	3.6835	3.9856	3.9653	4.4981
H5	2.1006	3.0687	2.4412	1.0893		2.1230	2.4660	2.5825	2.3497	3.9739	4.4637	4.3344	4.5838
O6	2.3661	2.6261	3.3517	1.3984	2.1230		1.4391	2.0960	2.0947	2.4122	2.6648	2.6639	3.3560
C7	3.5786	4.0096	4.4257	2.3500	2.4660	1.4391		1.0968	1.0966	1.5408	2.1707	2.1708	2.1667
H8	3.8154	4.3239	4.5531	2.6421	2.5825	2.0960	1.0968		1.7693	2.1739	2.5145	3.0733	2.4983
H9	3.9072	4.5132	4.6039	2.6105	2.3497	2.0947	1.0966	1.7693		2.1748	3.0738	2.5161	2.4991
C10	4.7718	4.9384	5.7324	3.6835	3.9739	2.4122	1.5408	2.1739	2.1748		1.0855	1.0855	1.0858
H11	4.8959	4.8777	5.9092	3.9856	4.4637	2.6648	2.1707	2.5145	3.0738	1.0855		1.7634	1.7657
H12	4.9680	5.0460	5.9490	3.9653	4.3344	2.6639	2.1708	3.0733	2.5161	1.0855	1.7634		1.7659
H13	5.6744	5.9370	6.5746	4.4981	4.5838	3.3560	2.1667	2.4983	2.4991	1.0858	1.7657	1.7659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.774	C1	C4	O6	121.590
H2	C1	H3	117.266	H2	C1	C4	121.711
H3	C1	C4	121.022	C4	O6	C7	111.816
H5	C4	O6	116.614	O6	C7	H8	110.766
O6	C7	H9	110.675	O6	C7	C10	108.046
C7	C10	H11	110.283	C7	C10	H12	110.291
C7	C10	H13	109.947	H8	C7	H9	107.538
H8	C7	C10	109.872	H9	C7	C10	109.948
H11	C10	H12	108.624	H11	C10	H13	108.821
H12	C10	H13	108.835

All results from a given calculation for C₂H₃OC₂H₅ (Ethene, ethoxy-)

using model chemistry: HF/STO-3G

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	C	-0.166
2	H	0.068
3	H	0.063
4	C	0.060
5	H	0.060
6	O	-0.241
7	C	0.022
8	H	0.056
9	H	0.055
10	C	-0.181
11	H	0.070
12	H	0.070
13	H	0.065

	x	y	z	Total
	0.672	1.354	0.127	1.517
CHELPG
AIM
ESP

	x	y	z
x	6.089	0.689	-0.121
y	0.689	3.447	-0.151
z	-0.121	-0.151	1.976

<r²>	162.244
(<r²>)^1/2	12.737

All results from a given calculation for C2H3OC2H5 (Ethene, ethoxy-)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₂H₃OC₂H₅ (Ethene, ethoxy-)