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	hartrees
Energy at 0K	-229.360605
Energy at 298.15K	-229.368410
Nuclear repulsion energy	168.404627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3463	3204	0.05
2	A	3386	3133	1.58
3	A	3380	3127	1.07
4	A	3315	3067	16.79
5	A	3276	3031	18.57
6	A	3252	3009	12.49
7	A	3218	2978	0.67
8	A	3148	2913	17.62
9	A	1751	1620	71.05
10	A	1640	1517	1.83
11	A	1626	1504	3.11
12	A	1608	1488	8.41
13	A	1520	1406	0.54
14	A	1515	1401	8.08
15	A	1417	1311	94.06
16	A	1363	1261	3.48
17	A	1321	1222	0.05
18	A	1211	1120	49.67
19	A	1172	1085	51.81
20	A	1160	1073	3.98
21	A	1085	1003	20.24
22	A	1000	925	6.32
23	A	995	921	12.44
24	A	877	811	2.26
25	A	842	779	0.82
26	A	808	748	28.63
27	A	650	601	0.36
28	A	489	452	1.72
29	A	421	390	0.59
30	A	210	194	0.07
31	A	194	180	0.23
32	A	91	84	0.71
33	A	54	50	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	2.519	-0.267	-0.000
H2	2.604	-1.365	-0.000
H3	3.451	0.318	-0.000
C4	1.313	0.360	0.000
H5	1.229	1.470	0.000
O6	0.091	-0.392	0.000
C7	-1.085	0.554	-0.000
H8	-1.061	1.211	-0.908
H9	-1.061	1.212	0.908
C10	-2.380	-0.328	-0.000
H11	-2.406	-0.974	-0.900
H12	-2.408	-0.972	0.901
H13	-3.277	0.324	-0.002

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.1011	1.1001	1.3594	2.1637	2.4321	3.6970	3.9786	3.9789	4.9000	5.0571	5.0585	5.8262
H2	1.1011		1.8842	2.1544	3.1505	2.6953	4.1583	4.5708	4.5713	5.0908	5.1056	5.1074	6.1184
H3	1.1001	1.8842		2.1380	2.5025	3.4346	4.5424	4.6881	4.6885	5.8669	6.0654	6.0667	6.7276
C4	1.3594	2.1544	2.1380		1.1130	1.4354	2.4065	2.6807	2.6809	3.7572	4.0531	4.0540	4.5901
H5	2.1637	3.1505	2.5025	1.1130		2.1822	2.4894	2.4772	2.4772	4.0326	4.4724	4.4727	4.6493
O6	2.4321	2.6953	3.4346	1.4354	2.1822		1.5087	2.1727	2.1727	2.4716	2.7176	2.7187	3.4425
C7	3.6970	4.1583	4.5424	2.4065	2.4894	1.5087		1.1215	1.1215	1.5667	2.2112	2.2113	2.2033
H8	3.9786	4.5708	4.6881	2.6807	2.4772	2.1727	1.1215		1.8158	2.2217	2.5664	3.1396	2.5531
H9	3.9789	4.5713	4.6885	2.6809	2.4772	2.1727	1.1215	1.8158		2.2217	3.1395	2.5658	2.5540
C10	4.9000	5.0908	5.8669	3.7572	4.0326	2.4716	1.5667	2.2217	2.2217		1.1082	1.1082	1.1089
H11	5.0571	5.1056	6.0654	4.0531	4.4724	2.7176	2.2112	2.5664	3.1395	1.1082		1.8018	1.8031
H12	5.0585	5.1074	6.0667	4.0540	4.4727	2.7187	2.2113	3.1396	2.5658	1.1082	1.8018		1.8031
H13	5.8262	6.1184	6.7276	4.5901	4.6493	3.4425	2.2033	2.5531	2.5540	1.1089	1.8031	1.8031

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.806	C1	C4	O6	120.941
H2	C1	H3	117.740	H2	C1	C4	121.877
H3	C1	C4	120.383	C4	O6	C7	109.621
H5	C4	O6	117.252	O6	C7	H8	110.528
O6	C7	H9	110.527	O6	C7	C10	106.945
C7	C10	H11	110.339	C7	C10	H12	110.346
C7	C10	H13	109.682	H8	C7	H9	108.104
H8	C7	C10	110.375	H9	C7	C10	110.377
H11	C10	H12	108.771	H11	C10	H13	108.832
H12	C10	H13	108.833

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

using model chemistry: BLYP/STO-3G

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	-0.194
2	H	0.070
3	H	0.069
4	C	-0.010
5	H	0.069
6	O	-0.144
7	C	-0.040
8	H	0.075
9	H	0.075
10	C	-0.215
11	H	0.083
12	H	0.083
13	H	0.079

	x	y	z	Total
	-1.345	1.175	-0.000	1.786
CHELPG
AIM
ESP

	x	y	z
x	7.126	-0.575	-0.000
y	-0.575	3.629	0.000
z	-0.000	0.000	2.071

<r²>	169.694
(<r²>)^1/2	13.027

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

using model chemistry: BLYP/STO-3G

States and conformations

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