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	hartrees
Energy at 0K	-232.148596
Energy at 298.15K	-232.156904
HF Energy	-232.148596
Nuclear repulsion energy	174.382207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3310	3146	6.04
2	A	3217	3057	0.05
3	A	3175	3017	22.08
4	A	3171	3013	25.23
5	A	3167	3010	18.10
6	A	3087	2933	13.56
7	A	3071	2919	45.91
8	A	3030	2879	52.90
9	A	1760	1673	161.00
10	A	1552	1475	9.24
11	A	1529	1453	3.54
12	A	1511	1436	6.31
13	A	1466	1393	8.29
14	A	1442	1371	63.54
15	A	1412	1341	38.96
16	A	1360	1293	5.30
17	A	1319	1253	0.27
18	A	1261	1198	256.21
19	A	1197	1137	13.96
20	A	1187	1128	98.30
21	A	1118	1062	8.81
22	A	1005	955	4.10
23	A	991	941	17.03
24	A	875	832	3.75
25	A	839	797	56.79
26	A	827	786	5.52
27	A	712	677	2.79
28	A	502	477	2.85
29	A	441	419	1.60
30	A	260	247	0.58
31	A	210	199	0.35
32	A	87	83	3.23
33	A	24	23	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	-2.438	-0.292	0.024
H2	-2.489	-1.373	0.101
H3	-3.363	0.271	-0.011
C4	-1.271	0.346	-0.039
H5	-1.211	1.433	-0.116
O6	-0.083	-0.301	-0.028
C7	1.061	0.532	0.055
H8	1.044	1.098	0.999
H9	1.054	1.260	-0.770
C10	2.287	-0.347	-0.018
H11	2.292	-1.068	0.805
H12	2.305	-0.903	-0.961
H13	3.196	0.260	0.046

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0850	1.0833	1.3310	2.1212	2.3562	3.5956	3.8739	3.9030	4.7263	4.8565	4.8827	5.6611
H2	1.0850		1.8651	2.1104	3.0903	2.6369	4.0293	4.4031	4.4990	4.8864	4.8415	4.9324	5.9146
H3	1.0833	1.8651		2.0935	2.4484	3.3304	4.4332	4.5965	4.5902	5.6847	5.8684	5.8660	6.5595
C4	1.3310	2.1104	2.0935		1.0915	1.3535	2.3423	2.6464	2.6037	3.6259	3.9251	3.8986	4.4689
H5	2.1212	3.0903	2.4484	1.0915		2.0708	2.4502	2.5376	2.3641	3.9265	4.4011	4.3046	4.5630
O6	2.3562	2.6369	3.3304	1.3535	2.0708		1.4182	2.0692	2.0689	2.3706	2.6304	2.6329	3.3270
C7	3.5956	4.0293	4.4332	2.3423	2.4502	1.4182		1.1001	1.1005	1.5109	2.1533	2.1538	2.1517
H8	3.8739	4.4031	4.5965	2.6464	2.5376	2.0692	1.1001		1.7770	2.1610	2.5069	3.0713	2.4982
H9	3.9030	4.4990	4.5902	2.6037	2.3641	2.0689	1.1005	1.7770		2.1611	3.0712	2.5054	2.5007
C10	4.7263	4.8864	5.6847	3.6259	3.9265	2.3706	1.5109	2.1610	2.1611		1.0940	1.0941	1.0947
H11	4.8565	4.8415	5.8684	3.9251	4.4011	2.6304	2.1533	2.5069	3.0712	1.0940		1.7737	1.7769
H12	4.8827	4.9324	5.8660	3.8986	4.3046	2.6329	2.1538	3.0713	2.5054	1.0941	1.7737		1.7775
H13	5.6611	5.9146	6.5595	4.4689	4.5630	3.3270	2.1517	2.4982	2.5007	1.0947	1.7769	1.7775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.924	C1	C4	O6	122.731
H2	C1	H3	118.675	H2	C1	C4	121.411
H3	C1	C4	119.913	C4	O6	C7	115.333
H5	C4	O6	115.340	O6	C7	H8	109.860
O6	C7	H9	109.812	O6	C7	C10	108.014
C7	C10	H11	110.486	C7	C10	H12	110.516
C7	C10	H13	110.317	H8	C7	H9	107.707
H8	C7	C10	110.732	H9	C7	C10	110.718
H11	C10	H12	108.309	H11	C10	H13	108.550
H12	C10	H13	108.598

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

using model chemistry: PBE1PBE/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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Number	Element	Mulliken
1	C	-0.462
2	H	0.175
3	H	0.168
4	C	0.158
5	H	0.153
6	O	-0.455
7	C	-0.085
8	H	0.165
9	H	0.162
10	C	-0.539
11	H	0.192
12	H	0.192
13	H	0.176

	x	y	z	Total
	1.123	1.317	0.043	1.731
CHELPG
AIM
ESP

	x	y	z
x	9.947	0.784	-0.048
y	0.784	6.438	-0.118
z	-0.048	-0.118	4.573

<r²>	161.106
(<r²>)^1/2	12.693

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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