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	hartrees
Energy at 0K	-42.260782
Energy at 298.15K	-42.269369
Nuclear repulsion energy	98.047018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3440	3089	33.68
2	A	3366	3022	14.39
3	A	3344	3003	22.52
4	A	3313	2975	84.02
5	A	3299	2962	72.72
6	A	3254	2922	63.07
7	A	3232	2903	44.89
8	A	3213	2885	76.16
9	A	1870	1679	191.06
10	A	1659	1490	7.12
11	A	1626	1460	3.87
12	A	1610	1446	3.11
13	A	1583	1421	46.31
14	A	1542	1385	34.09
15	A	1516	1362	59.26
16	A	1437	1290	5.29
17	A	1414	1270	1.38
18	A	1315	1181	273.13
19	A	1282	1151	33.26
20	A	1264	1135	158.02
21	A	1176	1056	8.15
22	A	1073	964	33.58
23	A	1050	943	8.34
24	A	954	856	79.79
25	A	929	834	6.90
26	A	872	783	0.33
27	A	766	688	5.03
28	A	517	465	2.67
29	A	461	414	1.17
30	A	271	244	1.02
31	A	227	204	0.89
32	A	101	91	4.04
33	A	43	38	1.44

Atom	x (Å)	y (Å)	z (Å)
C1	-2.472	-0.311	0.068
H2	-2.503	-1.384	0.193
H3	-3.399	0.245	0.054
C4	-1.305	0.345	-0.086
H5	-1.267	1.422	-0.211
O6	-0.109	-0.291	-0.127
C7	1.023	0.524	0.119
H8	0.956	0.954	1.122
H9	1.047	1.346	-0.602
C10	2.272	-0.347	-0.015
H11	2.245	-1.163	0.708
H12	2.332	-0.772	-1.017
H13	3.167	0.253	0.166

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0812	1.0812	1.3478	2.1284	2.3708	3.5938	3.8028	3.9468	4.7448	4.8359	4.9460	5.6677
H2	1.0812		1.8644	2.1228	3.0927	2.6511	4.0106	4.2777	4.5488	4.8913	4.7816	5.0212	5.9019
H3	1.0812	1.8644		2.1018	2.4497	3.3385	4.4319	4.5402	4.6275	5.7026	5.8540	5.9182	6.5672
C4	1.3478	2.1228	2.1018		1.0843	1.3551	2.3438	2.6347	2.6073	3.6438	3.9378	3.9163	4.4796
H5	2.1284	3.0927	2.4497	1.0843		2.0697	2.4822	2.6344	2.3484	3.9615	4.4566	4.2914	4.6012
O6	2.3708	2.6511	3.3385	1.3551	2.0697		1.4172	2.0604	2.0601	2.3846	2.6456	2.6420	3.3339
C7	3.5938	4.0106	4.4319	2.3438	2.4822	1.4172		1.0929	1.0935	1.5284	2.1645	2.1641	2.1613
H8	3.8028	4.2777	4.5402	2.6347	2.6344	2.0604	1.0929		1.7703	2.1712	2.5121	3.0732	2.5084
H9	3.9468	4.5488	4.6275	2.6073	2.3484	2.0601	1.0935	1.7703		2.1704	3.0732	2.5120	2.5058
C10	4.7448	4.8913	5.7026	3.6438	3.9615	2.3846	1.5284	2.1712	2.1704		1.0902	1.0904	1.0921
H11	4.8359	4.7816	5.8540	3.9378	4.4566	2.6456	2.1645	2.5121	3.0732	1.0902		1.7703	1.7737
H12	4.9460	5.0212	5.9182	3.9163	4.2914	2.6420	2.1641	3.0732	2.5120	1.0904	1.7703		1.7742
H13	5.6677	5.9019	6.5672	4.4796	4.6012	3.3339	2.1613	2.5084	2.5058	1.0921	1.7737	1.7742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.748	C1	C4	O6	122.598
H2	C1	H3	119.123	H2	C1	C4	121.444
H3	C1	C4	119.427	C4	O6	C7	115.420
H5	C4	O6	115.638	O6	C7	H8	109.664
O6	C7	H9	109.602	O6	C7	C10	108.042
C7	C10	H11	110.379	C7	C10	H12	110.340
C7	C10	H13	110.016	H8	C7	H9	108.129
H8	C7	C10	110.747	H9	C7	C10	110.650
H11	C10	H12	108.550	H11	C10	H13	108.734
H12	C10	H13	108.776

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

using model chemistry: HF/CEP-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	C	-0.405
2	H	0.195
3	H	0.160
4	C	-0.118
5	H	0.191
6	O	-0.277
7	C	-0.083
8	H	0.101
9	H	0.092
10	C	-0.186
11	H	0.114
12	H	0.114
13	H	0.102

	x	y	z	Total
	1.046	1.617	0.229	1.940
CHELPG
AIM
ESP

	x	y	z
x	9.518	1.056	-0.251
y	1.056	5.987	-0.152
z	-0.251	-0.152	4.699

<r²>	132.650
(<r²>)^1/2	11.517

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

using model chemistry: HF/CEP-31G*

States and conformations

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