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	hartrees
Energy at 0K	-230.854942
Energy at 298.15K	-230.863192
Nuclear repulsion energy	171.113303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3213	3184	6.14
2	A	3122	3094	0.04
3	A	3086	3058	19.92
4	A	3078	3050	18.29
5	A	3043	3015	23.96
6	A	3002	2974	10.49
7	A	2985	2957	41.06
8	A	2940	2913	39.63
9	A	1663	1648	114.06
10	A	1530	1516	3.84
11	A	1518	1504	11.35
12	A	1503	1490	7.94
13	A	1434	1421	0.20
14	A	1412	1399	15.99
15	A	1356	1344	66.08
16	A	1323	1311	2.05
17	A	1279	1267	0.55
18	A	1169	1158	109.66
19	A	1127	1117	58.37
20	A	1111	1101	63.01
21	A	1036	1027	91.66
22	A	967	958	26.36
23	A	963	954	6.78
24	A	836	828	8.45
25	A	831	824	69.52
26	A	802	795	3.23
27	A	688	682	5.01
28	A	480	476	2.42
29	A	409	406	3.99
30	A	246	244	0.99
31	A	205	203	0.66
32	A	84	83	0.76
33	A	66	65	3.18

Atom	x (Å)	y (Å)	z (Å)
C1	-2.481	-0.263	0.039
H2	-2.537	-1.309	0.347
H3	-3.409	0.279	-0.145
C4	-1.296	0.340	-0.134
H5	-1.221	1.396	-0.436
O6	-0.082	-0.340	0.009
C7	1.097	0.535	0.203
H8	1.126	0.903	1.247
H9	1.037	1.408	-0.477
C10	2.317	-0.330	-0.115
H11	2.329	-1.211	0.548
H12	2.265	-0.677	-1.159
H13	3.246	0.245	0.033

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0914	1.0904	1.3416	2.1366	2.4005	3.6693	3.9783	3.9292	4.8011	4.9291	4.9122	5.7501
H2	1.0914		1.8774	2.1194	3.1077	2.6604	4.0768	4.3720	4.5645	4.9729	4.8710	5.0717	5.9967
H3	1.0904	1.8774		2.1144	2.4736	3.3876	4.5262	4.7841	4.5993	5.7585	5.9688	5.8424	6.6578
C4	1.3416	2.1194	2.1144		1.1000	1.3987	2.4236	2.8433	2.5884	3.6744	4.0013	3.8422	4.5460
H5	2.1366	3.1077	2.4736	1.1000		2.1232	2.5535	2.9291	2.2584	3.9495	4.5127	4.1192	4.6366
O6	2.4005	2.6604	3.3876	1.3987	2.1232		1.4807	2.1297	2.1324	2.4023	2.6196	2.6431	3.3797
C7	3.6693	4.0768	4.5262	2.4236	2.5535	1.4807		1.1068	1.1092	1.5293	2.1645	2.1656	2.1758
H8	3.9783	4.3720	4.7841	2.8433	2.9291	2.1297	1.1068		1.7989	2.1895	2.5310	3.0957	2.5305
H9	3.9292	4.5645	4.5993	2.5884	2.2584	2.1324	1.1092	1.7989		2.1891	3.0954	2.5140	2.5481
C10	4.8011	4.9729	5.7585	3.6744	3.9495	2.4023	1.5293	2.1895	2.1891		1.1021	1.1020	1.1032
H11	4.9291	4.8710	5.9688	4.0013	4.5127	2.6196	2.1645	2.5310	3.0954	1.1021		1.7899	1.7968
H12	4.9122	5.0717	5.8424	3.8422	4.1192	2.6431	2.1656	3.0957	2.5140	1.1020	1.7899		1.7990
H13	5.7501	5.9967	6.6578	4.5460	4.6366	3.3797	2.1758	2.5305	2.5481	1.1032	1.7968	1.7990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.798	C1	C4	O6	122.313
H2	C1	H3	118.739	H2	C1	C4	120.826
H3	C1	C4	120.425	C4	O6	C7	114.607
H5	C4	O6	115.848	O6	C7	H8	109.946
O6	C7	H9	110.012	O6	C7	C10	105.887
C7	C10	H11	109.617	C7	C10	H12	109.707
C7	C10	H13	110.439	H8	C7	H9	108.541
H8	C7	C10	111.305	H9	C7	C10	111.134
H11	C10	H12	108.595	H11	C10	H13	109.122
H12	C10	H13	109.330

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

using model chemistry: PBEPBE/3-21G

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	-0.467
2	H	0.204
3	H	0.194
4	C	0.069
5	H	0.187
6	O	-0.449
7	C	-0.191
8	H	0.213
9	H	0.201
10	C	-0.616
11	H	0.227
12	H	0.224
13	H	0.205

	x	y	z	Total
	1.235	1.380	0.034	1.853
CHELPG
AIM
ESP

	x	y	z
x	10.376	0.719	0.031
y	0.719	6.023	-0.472
z	0.031	-0.472	4.221

<r²>	165.847
(<r²>)^1/2	12.878

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

using model chemistry: PBEPBE/3-21G

States and conformations

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