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	hartrees
Energy at 0K	-232.417130
Energy at 298.15K	-232.425453
Nuclear repulsion energy	174.612230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3284	3134	9.12
2	A	3189	3044	0.43
3	A	3155	3011	27.89
4	A	3153	3009	33.41
5	A	3148	3005	26.10
6	A	3071	2931	18.32
7	A	3062	2922	46.17
8	A	3024	2886	59.62
9	A	1741	1662	173.66
10	A	1545	1475	9.14
11	A	1522	1452	3.47
12	A	1503	1435	8.13
13	A	1461	1394	16.38
14	A	1434	1369	58.24
15	A	1409	1345	23.22
16	A	1356	1294	8.79
17	A	1326	1265	0.48
18	A	1248	1191	256.92
19	A	1195	1141	5.08
20	A	1177	1123	139.14
21	A	1113	1063	14.74
22	A	1003	957	5.10
23	A	983	938	24.63
24	A	871	832	4.47
25	A	835	797	52.13
26	A	829	791	11.75
27	A	710	678	6.18
28	A	502	479	3.07
29	A	441	421	1.71
30	A	257	246	0.57
31	A	209	200	0.24
32	A	92	87	3.38
33	A	21	20	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	2.437	-0.292	0.000
H2	2.487	-1.374	0.000
H3	3.360	0.270	-0.000
C4	1.272	0.344	-0.000
H5	1.214	1.432	-0.000
O6	0.084	-0.299	0.000
C7	-1.064	0.535	0.000
H8	-1.051	1.181	-0.886
H9	-1.052	1.181	0.887
C10	-2.285	-0.350	-0.000
H11	-2.295	-0.989	-0.884
H12	-2.295	-0.990	0.884
H13	-3.194	0.254	-0.000

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0828	1.0809	1.3275	2.1139	2.3527	3.5975	3.8891	3.8891	4.7219	4.8640	4.8641	5.6574
H2	1.0828		1.8614	2.1045	3.0811	2.6325	4.0319	4.4537	4.4536	4.8804	4.8784	4.8783	5.9098
H3	1.0809	1.8614		2.0892	2.4405	3.3248	4.4320	4.5908	4.5910	5.6786	5.8606	5.8608	6.5540
C4	1.3275	2.1045	2.0892		1.0889	1.3508	2.3439	2.6237	2.6240	3.6238	3.9095	3.9097	4.4670
H5	2.1139	3.0811	2.4405	1.0889		2.0665	2.4478	2.4451	2.4456	3.9259	4.3536	4.3539	4.5623
O6	2.3527	2.6325	3.3248	1.3508	2.0665		1.4192	2.0653	2.0653	2.3694	2.6304	2.6305	3.3245
C7	3.5975	4.0319	4.4320	2.3439	2.4478	1.4192		1.0970	1.0970	1.5078	2.1498	2.1498	2.1484
H8	3.8891	4.4537	4.5908	2.6237	2.4451	2.0653	1.0970		1.7735	2.1566	2.5017	3.0648	2.4972
H9	3.8891	4.4536	4.5910	2.6240	2.4456	2.0653	1.0970	1.7735		2.1566	3.0648	2.5016	2.4973
C10	4.7219	4.8804	5.6786	3.6238	3.9259	2.3694	1.5078	2.1566	2.1566		1.0910	1.0910	1.0918
H11	4.8640	4.8784	5.8606	3.9095	4.3536	2.6304	2.1498	2.5017	3.0648	1.0910		1.7675	1.7709
H12	4.8641	4.8783	5.8608	3.9097	4.3539	2.6305	2.1498	3.0648	2.5016	1.0910	1.7675		1.7709
H13	5.6574	5.9098	6.5540	4.4670	4.5623	3.3245	2.1484	2.4972	2.4973	1.0918	1.7709	1.7709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.731	C1	C4	O6	122.910
H2	C1	H3	118.695	H2	C1	C4	121.316
H3	C1	C4	119.989	C4	O6	C7	115.576
H5	C4	O6	115.359	O6	C7	H8	109.668
O6	C7	H9	109.668	O6	C7	C10	108.055
C7	C10	H11	110.607	C7	C10	H12	110.607
C7	C10	H13	110.450	H8	C7	H9	107.864
H8	C7	C10	110.790	H9	C7	C10	110.790
H11	C10	H12	108.203	H11	C10	H13	108.448
H12	C10	H13	108.448

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

using model chemistry: mPW1PW91/6-311G*

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	-0.526
2	H	0.222
3	H	0.218
4	C	0.013
5	H	0.191
6	O	-0.304
7	C	-0.249
8	H	0.210
9	H	0.210
10	C	-0.674
11	H	0.234
12	H	0.234
13	H	0.222

	x	y	z	Total
	-1.143	1.369	0.000	1.783
CHELPG
AIM
ESP

<r²>	161.189
(<r²>)^1/2	12.696

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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