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	hartrees
Energy at 0K	-230.972468
Energy at 298.15K	-230.981102
Nuclear repulsion energy	175.098758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3423	3108	9.52
2	A	3330	3024	5.31
3	A	3308	3004	14.78
4	A	3276	2975	43.36
5	A	3266	2966	39.06
6	A	3202	2907	53.65
7	A	3189	2896	24.87
8	A	3160	2869	56.64
9	A	1872	1700	204.44
10	A	1633	1483	6.88
11	A	1601	1454	4.66
12	A	1578	1433	4.79
13	A	1563	1420	31.91
14	A	1533	1392	64.77
15	A	1502	1363	31.76
16	A	1442	1309	4.19
17	A	1407	1278	1.29
18	A	1323	1201	265.45
19	A	1278	1160	18.58
20	A	1265	1148	187.46
21	A	1180	1071	6.85
22	A	1091	990	14.12
23	A	1062	964	8.84
24	A	970	880	66.22
25	A	934	848	7.20
26	A	880	799	0.35
27	A	779	707	1.69
28	A	530	481	3.00
29	A	466	423	1.16
30	A	278	253	0.91
31	A	224	204	0.44
32	A	98	89	3.84
33	A	32	29	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	-2.423	-0.299	0.045
H2	-2.459	-1.376	0.137
H3	-3.350	0.255	0.025
C4	-1.274	0.343	-0.055
H5	-1.235	1.424	-0.146
O6	-0.083	-0.284	-0.069
C7	1.056	0.531	0.073
H8	1.022	1.052	1.035
H9	1.071	1.287	-0.718
C10	2.282	-0.351	-0.011
H11	2.267	-1.100	0.781
H12	2.315	-0.867	-0.972
H13	3.187	0.251	0.095

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0818	1.0802	1.3202	2.1015	2.3433	3.5769	3.8307	3.9125	4.7055	4.8148	4.8790	5.6371
H2	1.0818		1.8623	2.0967	3.0691	2.6235	3.9995	4.3383	4.5039	4.8526	4.7777	4.9273	5.8758
H3	1.0802	1.8623		2.0801	2.4225	3.3131	4.4152	4.5574	4.6006	5.6645	5.8277	5.8605	6.5375
C4	1.3202	2.0967	2.0801		1.0862	1.3456	2.3407	2.6382	2.6134	3.6225	3.9136	3.8961	4.4638
H5	2.1015	3.0691	2.4225	1.0862		2.0620	2.4693	2.5745	2.3804	3.9419	4.4160	4.3051	4.5816
O6	2.3433	2.6235	3.3131	1.3456	2.0620		1.4072	2.0550	2.0544	2.3660	2.6287	2.6274	3.3169
C7	3.5769	3.9995	4.4152	2.3407	2.4693	1.4072		1.0946	1.0950	1.5119	2.1514	2.1514	2.1492
H8	3.8307	4.3383	4.5574	2.6382	2.5745	2.0550	1.0946		1.7695	2.1562	2.4999	3.0627	2.4928
H9	3.9125	4.5039	4.6006	2.6134	2.3804	2.0544	1.0950	1.7695		2.1560	3.0626	2.4999	2.4923
C10	4.7055	4.8526	5.6645	3.6225	3.9419	2.3660	1.5119	2.1562	2.1560		1.0909	1.0910	1.0919
H11	4.8148	4.7777	5.8277	3.9136	4.4160	2.6287	2.1514	2.4999	3.0626	1.0909		1.7691	1.7731
H12	4.8790	4.9273	5.8605	3.8961	4.3051	2.6274	2.1514	3.0627	2.4999	1.0910	1.7691		1.7736
H13	5.6371	5.8758	6.5375	4.4638	4.5816	3.3169	2.1492	2.4928	2.4923	1.0919	1.7731	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.380	C1	C4	O6	123.047
H2	C1	H3	118.944	H2	C1	C4	121.267
H3	C1	C4	119.787	C4	O6	C7	116.473
H5	C4	O6	115.567	O6	C7	H8	109.821
O6	C7	H9	109.755	O6	C7	C10	108.241
C7	C10	H11	110.447	C7	C10	H12	110.445
C7	C10	H13	110.215	H8	C7	H9	107.837
H8	C7	C10	110.613	H9	C7	C10	110.573
H11	C10	H12	108.346	H11	C10	H13	108.646
H12	C10	H13	108.684

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

using model chemistry: HF/cc-pVDZ

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	CHELPG
1	C	-0.100	-0.534
2	H	0.047	0.197
3	H	0.044	0.169
4	C	0.147	0.202
5	H	0.022	0.065
6	O	-0.423	-0.373
7	C	0.141	0.398
8	H	0.023	-0.035
9	H	0.023	-0.028
10	C	-0.042	-0.253
11	H	0.045	0.073
12	H	0.045	0.068
13	H	0.029	0.052

	x	y	z	Total
	1.037	1.470	0.112	1.803
CHELPG
AIM
ESP

	x	y	z
x	9.724	0.910	-0.132
y	0.910	6.551	-0.146
z	-0.132	-0.146	4.804

<r²>	160.515
(<r²>)^1/2	12.669

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

using model chemistry: HF/cc-pVDZ

States and conformations

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