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	hartrees
Energy at 0K	-232.161079
Energy at 298.15K
HF Energy	-231.925612
Nuclear repulsion energy	173.868901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3314	3144	7.60
2	A	3223	3057	0.25
3	A	3182	3018	25.43
4	A	3175	3012	28.70
5	A	3172	3010	19.67
6	A	3095	2936	14.83
7	A	3086	2927	47.66
8	A	3044	2888	50.19
9	A	1741	1652	132.74
10	A	1575	1494	7.79
11	A	1551	1472	3.37
12	A	1535	1456	4.93
13	A	1482	1406	8.72
14	A	1461	1386	37.56
15	A	1430	1356	57.87
16	A	1369	1298	4.27
17	A	1328	1260	0.33
18	A	1245	1182	191.38
19	A	1209	1147	28.15
20	A	1175	1115	114.48
21	A	1113	1056	28.19
22	A	1005	954	8.21
23	A	989	938	18.82
24	A	873	828	6.12
25	A	839	796	0.85
26	A	831	788	52.10
27	A	716	679	2.18
28	A	501	475	2.51
29	A	442	420	1.68
30	A	264	250	0.71
31	A	215	204	0.53
32	A	85	81	3.48
33	A	54	51	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	-2.440	-0.293	0.072
H2	-2.478	-1.362	0.241
H3	-3.372	0.253	0.016
C4	-1.279	0.347	-0.092
H5	-1.231	1.423	-0.265
O6	-0.080	-0.295	-0.105
C7	1.060	0.523	0.130
H8	1.015	0.954	1.139
H9	1.079	1.356	-0.588
C10	2.296	-0.342	-0.027
H11	2.276	-1.165	0.691
H12	2.340	-0.762	-1.034
H13	3.197	0.252	0.146

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0836	1.0820	1.3351	2.1255	2.3660	3.5939	3.8248	3.9416	4.7367	4.8360	4.9286	5.6638
H2	1.0836		1.8604	2.1138	3.0932	2.6468	4.0101	4.2859	4.5528	4.8886	4.7794	5.0199	5.9009
H3	1.0820	1.8604		2.0978	2.4557	3.3394	4.4418	4.5827	4.6255	5.6991	5.8629	5.8962	6.5708
C4	1.3351	2.1138	2.0978		1.0912	1.3602	2.3562	2.6735	2.6128	3.6412	3.9422	3.9010	4.4839
H5	2.1255	3.0932	2.4557	1.0912		2.0745	2.4931	2.6904	2.3340	3.9510	4.4627	4.2570	4.5992
O6	2.3660	2.6468	3.3394	1.3602	2.0745		1.4231	2.0756	2.0748	2.3778	2.6352	2.6343	3.3326
C7	3.5939	4.0101	4.4418	2.3562	2.4931	1.4231		1.0981	1.0994	1.5162	2.1549	2.1550	2.1545
H8	3.8248	4.2859	4.5827	2.6735	2.6904	2.0756	1.0981		1.7739	2.1622	2.5058	3.0690	2.4977
H9	3.9416	4.5528	4.6255	2.6128	2.3340	2.0748	1.0994	1.7739		2.1624	3.0696	2.5049	2.4986
C10	4.7367	4.8886	5.6991	3.6412	3.9510	2.3778	1.5162	2.1622	2.1624		1.0922	1.0923	1.0933
H11	4.8360	4.7794	5.8629	3.9422	4.4627	2.6352	2.1549	2.5058	3.0696	1.0922		1.7723	1.7756
H12	4.9286	5.0199	5.8962	3.9010	4.2570	2.6343	2.1550	3.0690	2.5049	1.0923	1.7723		1.7763
H13	5.6638	5.9009	6.5708	4.4839	4.5992	3.3326	2.1545	2.4977	2.4986	1.0933	1.7756	1.7763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	122.013	C1	C4	O6	122.763
H2	C1	H3	118.424	H2	C1	C4	121.494
H3	C1	C4	120.070	C4	O6	C7	115.660
H5	C4	O6	115.180	O6	C7	H8	110.157
O6	C7	H9	110.009	O6	C7	C10	107.945
C7	C10	H11	110.353	C7	C10	H12	110.351
C7	C10	H13	110.257	H8	C7	H9	107.653
H8	C7	C10	110.573	H9	C7	C10	110.514
H11	C10	H12	108.440	H11	C10	H13	108.665
H12	C10	H13	108.723

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

using model chemistry: B2PLYP=FULLultrafine/6-31G*

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

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

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