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	hartrees
Energy at 0K	-231.046120
Energy at 298.15K	-231.054721
Nuclear repulsion energy	175.629301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3394	3090	9.35
2	A	3309	3012	2.28
3	A	3291	2996	12.79
4	A	3240	2950	47.60
5	A	3230	2940	42.24
6	A	3170	2886	40.01
7	A	3169	2885	24.09
8	A	3141	2859	55.08
9	A	1844	1679	226.59
10	A	1649	1501	6.75
11	A	1617	1472	2.05
12	A	1599	1456	5.15
13	A	1575	1433	10.23
14	A	1548	1409	68.14
15	A	1519	1382	32.19
16	A	1454	1324	12.38
17	A	1417	1290	1.50
18	A	1324	1205	260.99
19	A	1286	1171	5.10
20	A	1265	1151	210.54
21	A	1181	1075	13.61
22	A	1096	998	15.77
23	A	1059	964	8.65
24	A	988	899	78.25
25	A	933	849	7.41
26	A	881	802	0.43
27	A	778	708	5.54
28	A	535	487	2.93
29	A	467	425	1.10
30	A	272	247	0.63
31	A	222	202	0.18
32	A	97	88	3.44
33	A	12	11	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	2.421	-0.299	0.000
H2	2.468	-1.371	0.000
H3	3.336	0.257	0.000
C4	1.273	0.341	-0.000
H5	1.234	1.417	-0.000
O6	0.087	-0.282	-0.000
C7	-1.058	0.533	0.000
H8	-1.051	1.173	-0.878
H9	-1.051	1.172	0.879
C10	-2.281	-0.354	0.000
H11	-2.292	-0.987	-0.878
H12	-2.292	-0.987	0.878
H13	-3.179	0.253	0.000

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0727	1.0708	1.3147	2.0872	2.3347	3.5776	3.8721	3.8718	4.7027	4.8439	4.8436	5.6272
H2	1.0727		1.8451	2.0879	3.0491	2.6187	4.0074	4.4298	4.4293	4.8567	4.8561	4.8556	5.8757
H3	1.0708	1.8451		2.0648	2.4013	3.2940	4.4030	4.5669	4.5666	5.6505	5.8310	5.8308	6.5151
C4	1.3147	2.0879	2.0648		1.0766	1.3402	2.3391	2.6197	2.6196	3.6216	3.9049	3.9048	4.4528
H5	2.0872	3.0491	2.4013	1.0766		2.0499	2.4562	2.4596	2.4600	3.9358	4.3570	4.3572	4.5635
O6	2.3347	2.6187	3.2940	1.3402	2.0499		1.4053	2.0444	2.0444	2.3688	2.6320	2.6321	3.3089
C7	3.5776	4.0074	4.4030	2.3391	2.4562	1.4053		1.0863	1.0863	1.5111	2.1462	2.1462	2.1392
H8	3.8721	4.4298	4.5669	2.6197	2.4596	2.0444	1.0863		1.7571	2.1483	2.4907	3.0479	2.4790
H9	3.8718	4.4293	4.5666	2.6196	2.4600	2.0444	1.0863	1.7571		2.1483	3.0479	2.4907	2.4791
C10	4.7027	4.8567	5.6505	3.6216	3.9358	2.3688	1.5111	2.1483	2.1483		1.0825	1.0825	1.0837
H11	4.8439	4.8561	5.8310	3.9049	4.3570	2.6320	2.1462	2.4907	3.0479	1.0825		1.7562	1.7590
H12	4.8436	4.8556	5.8308	3.9048	4.3572	2.6321	2.1462	3.0479	2.4907	1.0825	1.7562		1.7590
H13	5.6272	5.8757	6.5151	4.4528	4.5635	3.3089	2.1392	2.4790	2.4791	1.0837	1.7590	1.7590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.255	C1	C4	O6	123.138
H2	C1	H3	118.804	H2	C1	C4	121.654
H3	C1	C4	119.543	C4	O6	C7	116.837
H5	C4	O6	115.607	O6	C7	H8	109.613
O6	C7	H9	109.614	O6	C7	C10	108.575
C7	C10	H11	110.599	C7	C10	H12	110.599
C7	C10	H13	109.971	H8	C7	H9	107.955
H8	C7	C10	110.537	H9	C7	C10	110.537
H11	C10	H12	108.427	H11	C10	H13	108.592
H12	C10	H13	108.592

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

using model chemistry: HF/aug-cc-pVTZ

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	-0.937
2	H	0.382
3	H	0.447
4	C	-0.301
5	H	0.526
6	O	-0.425
7	C	-0.200
8	H	0.293
9	H	0.293
10	C	-0.951
11	H	0.279
12	H	0.279
13	H	0.314

	x	y	z	Total
	-1.174	1.371	0.001	1.805
CHELPG
AIM
ESP

	x	y	z
x	10.704	-0.787	0.000
y	-0.787	7.446	-0.000
z	0.000	-0.000	6.601

<r²>	160.300
(<r²>)^1/2	12.661

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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