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	hartrees
Energy at 0K	-231.083119
Energy at 298.15K	-231.091488
HF Energy	-231.083119
Nuclear repulsion energy	172.653004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3311	3138	4.68
2	A	3220	3052	0.45
3	A	3191	3024	18.03
4	A	3183	3017	17.89
5	A	3164	2999	18.84
6	A	3106	2944	37.05
7	A	3104	2942	9.88
8	A	3059	2899	35.88
9	A	1751	1659	133.27
10	A	1585	1503	8.80
11	A	1573	1491	8.99
12	A	1555	1474	8.51
13	A	1494	1416	0.20
14	A	1471	1394	20.65
15	A	1426	1352	61.90
16	A	1381	1309	1.69
17	A	1334	1264	0.32
18	A	1222	1158	150.91
19	A	1189	1127	64.39
20	A	1166	1105	81.76
21	A	1097	1039	68.43
22	A	1027	974	17.28
23	A	1002	950	5.19
24	A	929	881	96.20
25	A	872	827	2.82
26	A	849	805	4.98
27	A	725	687	2.77
28	A	502	475	2.34
29	A	429	406	3.60
30	A	247	234	1.06
31	A	210	199	0.76
32	A	71	67	4.65
33	A	54	52	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	-2.462	-0.300	0.035
H2	-2.482	-1.374	0.158
H3	-3.400	0.237	-0.016
C4	-1.309	0.350	-0.061
H5	-1.280	1.432	-0.182
O6	-0.085	-0.290	-0.036
C7	1.098	0.551	0.086
H8	1.103	1.071	1.053
H9	1.115	1.311	-0.708
C10	2.309	-0.364	-0.032
H11	2.280	-1.118	0.758
H12	2.295	-0.873	-0.999
H13	3.236	0.211	0.057

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0815	1.0817	1.3273	2.1080	2.3781	3.6603	3.9531	3.9927	4.7717	4.8664	4.9012	5.7209
H2	1.0815		1.8622	2.0971	3.0716	2.6379	4.0650	4.4308	4.5714	4.8998	4.8067	4.9403	5.9344
H3	1.0817	1.8622		2.0944	2.4391	3.3565	4.5096	4.7027	4.6922	5.7401	5.8905	5.8842	6.6362
C4	1.3273	2.0971	2.0944		1.0889	1.3816	2.4194	2.7529	2.6865	3.6876	3.9635	3.9193	4.5485
H5	2.1080	3.0716	2.4391	1.0889		2.1014	2.5502	2.7088	2.4553	4.0160	4.4794	4.3310	4.6845
O6	2.3781	2.6379	3.3565	1.3816	2.1014		1.4562	2.1096	2.1105	2.3949	2.6289	2.6321	3.3598
C7	3.6603	4.0650	4.5096	2.4194	2.5502	1.4562		1.0981	1.0993	1.5220	2.1530	2.1527	2.1652
H8	3.9531	4.4308	4.7027	2.7529	2.7088	2.1096	1.0981		1.7773	2.1651	2.5027	3.0667	2.5061
H9	3.9927	4.5714	4.6922	2.6865	2.4553	2.1105	1.0993	1.7773		2.1648	3.0671	2.4985	2.5086
C10	4.7717	4.8998	5.7401	3.6876	4.0160	2.3949	1.5220	2.1651	2.1648		1.0926	1.0927	1.0944
H11	4.8664	4.8067	5.8905	3.9635	4.4794	2.6289	2.1530	2.5027	3.0671	1.0926		1.7741	1.7809
H12	4.9012	4.9403	5.8842	3.9193	4.3310	2.6321	2.1527	3.0667	2.4985	1.0927	1.7741		1.7814
H13	5.7209	5.9344	6.6362	4.5485	4.6845	3.3598	2.1652	2.5061	2.5086	1.0944	1.7809	1.7814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.174	C1	C4	O6	122.770
H2	C1	H3	118.831	H2	C1	C4	120.721
H3	C1	C4	120.446	C4	O6	C7	116.961
H5	C4	O6	116.048	O6	C7	H8	110.575
O6	C7	H9	110.578	O6	C7	C10	107.030
C7	C10	H11	109.770	C7	C10	H12	109.741
C7	C10	H13	110.638	H8	C7	H9	107.963
H8	C7	C10	110.400	H9	C7	C10	110.312
H11	C10	H12	108.543	H11	C10	H13	109.037
H12	C10	H13	109.074

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

using model chemistry: wB97X-D/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	-0.501
2	H	0.222
3	H	0.208
4	C	0.105
5	H	0.202
6	O	-0.528
7	C	-0.167
8	H	0.216
9	H	0.205
10	C	-0.633
11	H	0.234
12	H	0.231
13	H	0.208

	x	y	z	Total
	1.106	1.560	0.087	1.914
CHELPG
AIM
ESP

	x	y	z
x	9.671	0.805	-0.063
y	0.805	5.933	-0.376
z	-0.063	-0.376	4.041

<r²>	163.472
(<r²>)^1/2	12.786

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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