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	hartrees
Energy at 0K	-43.277620
Energy at 298.15K	-43.285875
Nuclear repulsion energy	97.319162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3285	3144	16.90
2	A	3198	3061	0.82
3	A	3180	3044	38.68
4	A	3174	3038	38.54
5	A	3150	3015	28.70
6	A	3088	2956	20.25
7	A	3082	2950	56.40
8	A	3036	2906	72.39
9	A	1735	1661	170.86
10	A	1518	1453	9.48
11	A	1491	1427	2.99
12	A	1476	1413	6.61
13	A	1437	1376	39.35
14	A	1404	1344	44.50
15	A	1379	1320	33.20
16	A	1313	1256	13.19
17	A	1295	1239	0.07
18	A	1236	1183	287.92
19	A	1164	1114	77.34
20	A	1163	1114	5.27
21	A	1097	1050	4.41
22	A	973	931	1.88
23	A	952	912	39.91
24	A	850	814	2.35
25	A	814	779	74.35
26	A	802	768	6.12
27	A	689	659	8.83
28	A	481	460	2.67
29	A	425	407	1.56
30	A	255	244	0.58
31	A	202	193	0.35
32	A	95	91	3.75
33	A	53	51	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-2.474	-0.296	0.001
H2	-2.531	-1.388	0.002
H3	-3.397	0.288	-0.000
C4	-1.272	0.353	-0.001
H5	-1.206	1.450	-0.002
O6	-0.081	-0.308	-0.001
C7	1.069	0.539	0.001
H8	1.056	1.188	0.898
H9	1.056	1.192	-0.893
C10	2.311	-0.353	-0.000
H11	2.321	-0.998	0.892
H12	2.322	-0.994	-0.895
H13	3.224	0.266	0.001

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0930	1.0926	1.3661	2.1583	2.3926	3.6399	3.9326	3.9335	4.7854	4.9273	4.9281	5.7250
H2	1.0930		1.8862	2.1487	3.1323	2.6772	4.0833	4.5058	4.5080	4.9517	4.9485	4.9506	5.9874
H3	1.0926	1.8862		2.1261	2.4805	3.3691	4.4731	4.6308	4.6310	5.7443	5.9286	5.9288	6.6208
C4	1.3661	2.1487	2.1261		1.0990	1.3624	2.3484	2.6310	2.6304	3.6524	3.9414	3.9411	4.4965
H5	2.1583	3.1323	2.4805	1.0990		2.0876	2.4505	2.4481	2.4448	3.9526	4.3857	4.3839	4.5852
O6	2.3926	2.6772	3.3691	1.3624	2.0876		1.4287	2.0830	2.0830	2.3929	2.6540	2.6541	3.3542
C7	3.6399	4.0833	4.4731	2.3484	2.4505	1.4287		1.1067	1.1067	1.5296	2.1736	2.1736	2.1720
H8	3.9326	4.5058	4.6308	2.6310	2.4481	2.0830	1.1067		1.7905	2.1812	2.5260	3.0950	2.5208
H9	3.9335	4.5080	4.6310	2.6304	2.4448	2.0830	1.1067	1.7905		2.1812	3.0950	2.5260	2.5209
C10	4.7854	4.9517	5.7443	3.6524	3.9526	2.3929	1.5296	2.1812	2.1812		1.1008	1.1008	1.1021
H11	4.9273	4.9485	5.9286	3.9414	4.3857	2.6540	2.1736	2.5260	3.0950	1.1008		1.7863	1.7898
H12	4.9281	4.9506	5.9288	3.9411	4.3839	2.6541	2.1736	3.0950	2.5260	1.1008	1.7863		1.7898
H13	5.7250	5.9874	6.6208	4.4965	4.5852	3.3542	2.1720	2.5208	2.5209	1.1021	1.7898	1.7898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.852	C1	C4	O6	122.544
H2	C1	H3	119.312	H2	C1	C4	121.403
H3	C1	C4	119.285	C4	O6	C7	114.554
H5	C4	O6	115.605	O6	C7	H8	109.833
O6	C7	H9	109.833	O6	C7	C10	107.928
C7	C10	H11	110.390	C7	C10	H12	110.392
C7	C10	H13	110.187	H8	C7	H9	107.982
H8	C7	C10	110.633	H9	C7	C10	110.634
H11	C10	H12	108.457	H11	C10	H13	108.681
H12	C10	H13	108.681

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

using model chemistry: B1B95/CEP-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	-0.430
2	H	0.217
3	H	0.181
4	C	-0.250
5	H	0.216
6	O	-0.110
7	C	-0.257
8	H	0.133
9	H	0.133
10	C	-0.266
11	H	0.149
12	H	0.149
13	H	0.136

	x	y	z	Total
	1.225	1.532	0.001	1.962
CHELPG
AIM
ESP

	x	y	z
x	10.206	0.869	-0.002
y	0.869	6.109	-0.001
z	-0.002	-0.001	4.715

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G*

States and conformations

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