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	hartrees
Energy at 0K	-232.532547
Energy at 298.15K	-232.540867
HF Energy	-232.532547
Nuclear repulsion energy	174.044310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3258	3136	5.57
2	A	3166	3048	0.02
3	A	3131	3014	19.04
4	A	3114	2997	27.35
5	A	3108	2992	23.96
6	A	3042	2928	16.15
7	A	3026	2913	36.61
8	A	2994	2882	54.38
9	A	1707	1643	170.92
10	A	1525	1468	6.53
11	A	1502	1445	2.69
12	A	1485	1429	6.02
13	A	1449	1395	1.08
14	A	1421	1367	39.11
15	A	1399	1347	39.53
16	A	1347	1297	7.05
17	A	1304	1255	0.68
18	A	1222	1176	235.16
19	A	1181	1137	4.12
20	A	1146	1103	141.47
21	A	1090	1049	42.68
22	A	989	952	6.52
23	A	979	943	21.70
24	A	855	823	5.82
25	A	854	822	54.79
26	A	824	793	1.72
27	A	704	678	7.33
28	A	500	482	3.19
29	A	438	421	1.40
30	A	247	237	0.47
31	A	208	201	0.24
32	A	87	84	2.83
33	A	39	38	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-2.446	-0.293	0.033
H2	-2.490	-1.367	0.138
H3	-3.369	0.263	-0.012
C4	-1.286	0.347	-0.053
H5	-1.230	1.426	-0.158
O6	-0.089	-0.299	-0.039
C7	1.071	0.530	0.076
H8	1.044	1.058	1.035
H9	1.059	1.282	-0.721
C10	2.303	-0.346	-0.025
H11	2.307	-1.091	0.769
H12	2.326	-0.864	-0.983
H13	3.207	0.258	0.064

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0805	1.0787	1.3269	2.1137	2.3581	3.6123	3.8743	3.9154	4.7492	4.8756	4.9119	5.6794
H2	1.0805		1.8585	2.1032	3.0784	2.6340	4.0359	4.3794	4.5111	4.9033	4.8466	4.9703	5.9247
H3	1.0787	1.8585		2.0848	2.4387	3.3282	4.4491	4.6049	4.5985	5.7044	5.8878	5.8861	6.5761
C4	1.3269	2.1032	2.0848		1.0857	1.3607	2.3682	2.6687	2.6116	3.6553	3.9570	3.9216	4.4954
H5	2.1137	3.0784	2.4387	1.0857		2.0720	2.4804	2.5945	2.3619	3.9544	4.4395	4.3094	4.5932
O6	2.3581	2.6340	3.3282	1.3607	2.0720		1.4309	2.0690	2.0693	2.3920	2.6500	2.6534	3.3439
C7	3.6123	4.0359	4.4491	2.3682	2.4804	1.4309		1.0951	1.0954	1.5147	2.1539	2.1543	2.1528
H8	3.8743	4.3794	4.6049	2.6687	2.5945	2.0690	1.0951		1.7709	2.1627	2.5070	3.0677	2.5018
H9	3.9154	4.5111	4.5985	2.6116	2.3619	2.0693	1.0954	1.7709		2.1633	3.0679	2.5056	2.5053
C10	4.7492	4.9033	5.7044	3.6553	3.9544	2.3920	1.5147	2.1627	2.1633		1.0897	1.0898	1.0907
H11	4.8756	4.8466	5.8878	3.9570	4.4395	2.6500	2.1539	2.5070	3.0679	1.0897		1.7673	1.7689
H12	4.9119	4.9703	5.8861	3.9216	4.3094	2.6534	2.1543	3.0677	2.5056	1.0898	1.7673		1.7697
H13	5.6794	5.9247	6.5761	4.4954	4.5932	3.3439	2.1528	2.5018	2.5053	1.0907	1.7689	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	122.035	C1	C4	O6	122.651
H2	C1	H3	118.793	H2	C1	C4	121.424
H3	C1	C4	119.780	C4	O6	C7	116.032
H5	C4	O6	115.304	O6	C7	H8	109.260
O6	C7	H9	109.269	O6	C7	C10	108.562
C7	C10	H11	110.530	C7	C10	H12	110.552
C7	C10	H13	110.375	H8	C7	H9	107.888
H8	C7	C10	110.905	H9	C7	C10	110.930
H11	C10	H12	108.368	H11	C10	H13	108.437
H12	C10	H13	108.510

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

using model chemistry: B3LYP/Def2TZVPP

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	-0.274
2	H	0.093
3	H	0.100
4	C	0.076
5	H	0.075
6	O	-0.270
7	C	0.031
8	H	0.077
9	H	0.077
10	C	-0.236
11	H	0.088
12	H	0.088
13	H	0.075

	x	y	z	Total
	1.218	1.281	-0.001	1.768
CHELPG
AIM
ESP

	x	y	z
x	11.401	0.806	0.000
y	0.806	7.547	0.000
z	0.000	0.000	6.332

<r²>	162.731
(<r²>)^1/2	12.757

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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