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	hartrees
Energy at 0K	-232.371202
Energy at 298.15K
HF Energy	-232.371202
Nuclear repulsion energy	173.403961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3202	3160	7.93
2	A	3110	3069	0.28
3	A	3066	3026	24.58
4	A	3063	3023	31.09
5	A	3057	3017	25.10
6	A	2986	2947	19.93
7	A	2966	2928	41.18
8	A	2931	2893	61.58
9	A	1656	1634	167.99
10	A	1489	1470	5.93
11	A	1471	1452	3.37
12	A	1456	1437	6.02
13	A	1413	1395	1.03
14	A	1385	1367	30.58
15	A	1362	1344	42.25
16	A	1319	1301	9.70
17	A	1274	1258	0.55
18	A	1191	1175	214.54
19	A	1151	1136	3.68
20	A	1110	1095	123.57
21	A	1058	1044	76.07
22	A	965	952	6.77
23	A	946	934	24.50
24	A	830	820	6.00
25	A	811	800	39.91
26	A	805	794	13.37
27	A	681	672	8.92
28	A	490	484	3.43
29	A	430	424	1.46
30	A	237	234	0.37
31	A	204	201	0.22
32	A	83	82	2.43
33	A	25i	24i	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-2.455	-0.293	0.000
H2	-2.515	-1.376	0.000
H3	-3.375	0.279	-0.000
C4	-1.283	0.347	-0.000
H5	-1.220	1.437	-0.000
O6	-0.089	-0.305	0.000
C7	1.076	0.537	0.000
H8	1.056	1.182	0.891
H9	1.056	1.182	-0.890
C10	2.305	-0.350	-0.000
H11	2.322	-0.990	0.887
H12	2.322	-0.989	-0.888
H13	3.209	0.267	-0.000

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0850	1.0830	1.3356	2.1252	2.3662	3.6272	3.9109	3.9108	4.7607	4.9086	4.9083	5.6920
H2	1.0850		1.8651	2.1185	3.0966	2.6520	4.0689	4.4820	4.4822	4.9283	4.9330	4.9328	5.9556
H3	1.0830	1.8651		2.0932	2.4461	3.3375	4.4582	4.6087	4.6084	5.7148	5.9036	5.9031	6.5841
C4	1.3356	2.1185	2.0932		1.0914	1.3604	2.3663	2.6382	2.6378	3.6551	3.9458	3.9453	4.4927
H5	2.1252	3.0966	2.4461	1.0914		2.0769	2.4658	2.4575	2.4566	3.9523	4.3842	4.3836	4.5811
O6	2.3662	2.6520	3.3375	1.3604	2.0769		1.4374	2.0774	2.0775	2.3945	2.6586	2.6584	3.3475
C7	3.6272	4.0689	4.4582	2.3663	2.4658	1.4374		1.0999	1.0999	1.5162	2.1611	2.1611	2.1504
H8	3.9109	4.4820	4.6087	2.6382	2.4575	2.0774	1.0999		1.7812	2.1686	2.5137	3.0791	2.5037
H9	3.9108	4.4822	4.6084	2.6378	2.4566	2.0775	1.0999	1.7812		2.1686	3.0791	2.5138	2.5036
C10	4.7607	4.9283	5.7148	3.6551	3.9523	2.3945	1.5162	2.1686	2.1686		1.0938	1.0938	1.0948
H11	4.9086	4.9330	5.9036	3.9458	4.3842	2.6586	2.1611	2.5137	3.0791	1.0938		1.7750	1.7759
H12	4.9083	4.9328	5.9031	3.9453	4.3836	2.6584	2.1611	3.0791	2.5138	1.0938	1.7750		1.7759
H13	5.6920	5.9556	6.5841	4.4927	4.5811	3.3475	2.1504	2.5037	2.5036	1.0948	1.7759	1.7759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	122.175	C1	C4	O6	122.614
H2	C1	H3	118.710	H2	C1	C4	121.587
H3	C1	C4	119.700	C4	O6	C7	115.685
H5	C4	O6	115.201	O6	C7	H8	109.149
O6	C7	H9	109.236	O6	C7	C10	108.594
C7	C10	H11	110.569	C7	C10	H12	110.596
C7	C10	H13	110.241	H8	C7	H9	107.880
H8	C7	C10	110.986	H9	C7	C10	110.964
H11	C10	H12	108.408	H11	C10	H13	108.445
H12	C10	H13	108.514

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.500
2	H	0.124
3	H	0.135
4	C	0.353
5	H	0.120
6	O	-0.547
7	C	0.087
8	H	0.119
9	H	0.119
10	C	-0.377
11	H	0.123
12	H	0.123
13	H	0.120

	x	y	z	Total
	1.343	1.224	-0.000	1.817
CHELPG
AIM
ESP

	x	y	z
x	12.204	0.717	0.000
y	0.717	8.054	0.000
z	0.000	0.000	7.072

<r²>	163.711
(<r²>)^1/2	12.795

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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