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	hartrees
Energy at 0K	-232.213482
Energy at 298.15K	-232.221664
Nuclear repulsion energy	173.256957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3194	3172	5.26
2	A	3100	3079	0.06
3	A	3057	3036	23.17
4	A	3055	3034	23.15
5	A	3050	3029	17.79
6	A	2981	2960	14.54
7	A	2955	2935	37.82
8	A	2921	2901	56.02
9	A	1657	1646	160.89
10	A	1469	1459	6.09
11	A	1449	1439	3.33
12	A	1431	1422	6.48
13	A	1391	1382	1.42
14	A	1363	1353	41.47
15	A	1341	1331	33.75
16	A	1299	1290	6.08
17	A	1256	1247	0.38
18	A	1191	1182	225.43
19	A	1136	1129	4.04
20	A	1108	1101	114.48
21	A	1060	1053	43.01
22	A	960	953	5.41
23	A	938	932	21.01
24	A	826	820	4.29
25	A	797	792	24.08
26	A	793	788	24.25
27	A	678	674	7.16
28	A	485	482	3.32
29	A	425	422	1.54
30	A	237	235	0.41
31	A	202	201	0.23
32	A	87	86	2.11
33	A	36	36	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	2.457	-0.290	0.000
H2	2.516	-1.377	0.001
H3	3.378	0.286	-0.000
C4	1.281	0.347	-0.000
H5	1.216	1.441	-0.001
O6	0.087	-0.310	0.000
C7	-1.075	0.537	0.000
H8	-1.056	1.187	-0.893
H9	-1.056	1.186	0.894
C10	-2.303	-0.348	-0.000
H11	-2.319	-0.990	-0.891
H12	-2.320	-0.991	0.890
H13	-3.212	0.269	-0.000

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0890	1.0869	1.3369	2.1297	2.3698	3.6270	3.9134	3.9135	4.7604	4.9085	4.9090	5.6964
H2	1.0890		1.8734	2.1209	3.1039	2.6536	4.0696	4.4870	4.4866	4.9285	4.9324	4.9327	5.9606
H3	1.0869	1.8734		2.0982	2.4517	3.3449	4.4602	4.6119	4.6122	5.7170	5.9063	5.9070	6.5907
C4	1.3369	2.1209	2.0982		1.0961	1.3627	2.3635	2.6388	2.6392	3.6512	3.9424	3.9430	4.4940
H5	2.1297	3.1039	2.4517	1.0961		2.0830	2.4621	2.4535	2.4547	3.9476	4.3814	4.3823	4.5803
O6	2.3698	2.6536	3.3449	1.3627	2.0830		1.4378	2.0840	2.0839	2.3907	2.6544	2.6549	3.3497
C7	3.6270	4.0696	4.4602	2.3635	2.4621	1.4378		1.1045	1.1045	1.5143	2.1622	2.1623	2.1543
H8	3.9134	4.4870	4.6119	2.6388	2.4535	2.0840	1.1045		1.7868	2.1699	2.5169	3.0848	2.5078
H9	3.9135	4.4866	4.6122	2.6392	2.4547	2.0839	1.1045	1.7868		2.1699	3.0848	2.5167	2.5081
C10	4.7604	4.9285	5.7170	3.6512	3.9476	2.3907	1.5143	2.1699	2.1699		1.0979	1.0979	1.0985
H11	4.9085	4.9324	5.9063	3.9424	4.3814	2.6544	2.1622	2.5169	3.0848	1.0979		1.7806	1.7819
H12	4.9090	4.9327	5.9070	3.9430	4.3823	2.6549	2.1623	3.0848	2.5167	1.0979	1.7806		1.7819
H13	5.6964	5.9606	6.5907	4.4940	4.5803	3.3497	2.1543	2.5078	2.5081	1.0985	1.7819	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.862	C1	C4	O6	122.757
H2	C1	H3	118.858	H2	C1	C4	121.582
H3	C1	C4	119.560	C4	O6	C7	115.094
H5	C4	O6	115.382	O6	C7	H8	109.417
O6	C7	H9	109.416	O6	C7	C10	108.130
C7	C10	H11	110.725	C7	C10	H12	110.730
C7	C10	H13	110.060	H8	C7	H9	107.982
H8	C7	C10	110.939	H9	C7	C10	110.940
H11	C10	H12	108.373	H11	C10	H13	108.440
H12	C10	H13	108.441

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

using model chemistry: PBEPBE/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	C	-0.307
2	H	0.102
3	H	0.108
4	C	0.058
5	H	0.058
6	O	-0.181
7	C	0.021
8	H	0.063
9	H	0.063
10	C	-0.284
11	H	0.104
12	H	0.104
13	H	0.091

	x	y	z	Total
	-1.272	1.189	0.000	1.741
CHELPG
AIM
ESP

	x	y	z
x	11.795	-0.740	0.000
y	-0.740	7.688	-0.000
z	0.000	-0.000	6.079

<r²>	163.684
(<r²>)^1/2	12.794

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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