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	hartrees
Energy at 0K	-231.679838
Energy at 298.15K	-231.688312
HF Energy	-230.951322
Nuclear repulsion energy	173.978728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3330	3125	6.97
2	A	3239	3040	0.59
3	A	3205	3008	22.23
4	A	3196	3000	26.28
5	A	3194	2998	16.09
6	A	3114	2923	13.08
7	A	3109	2918	43.94
8	A	3066	2877	42.32
9	A	1777	1667	110.87
10	A	1590	1493	5.89
11	A	1560	1465	3.05
12	A	1545	1450	5.18
13	A	1496	1405	18.50
14	A	1475	1384	37.82
15	A	1444	1355	38.24
16	A	1380	1295	2.44
17	A	1339	1257	0.42
18	A	1262	1184	171.18
19	A	1224	1149	34.58
20	A	1201	1127	99.30
21	A	1135	1065	11.01
22	A	1019	956	10.64
23	A	987	926	24.03
24	A	892	838	5.87
25	A	847	795	0.50
26	A	843	792	50.96
27	A	727	683	2.10
28	A	506	475	1.61
29	A	450	422	1.56
30	A	266	250	0.81
31	A	226	212	1.02
32	A	90	84	3.12
33	A	68	64	1.80

Atom	x (Å)	y (Å)	z (Å)
C1	-2.428	-0.287	0.090
H2	-2.455	-1.351	0.296
H3	-3.366	0.252	0.038
C4	-1.277	0.350	-0.118
H5	-1.227	1.419	-0.327
O6	-0.078	-0.309	-0.133
C7	1.049	0.515	0.161
H8	0.980	0.885	1.193
H9	1.058	1.385	-0.510
C10	2.294	-0.327	-0.031
H11	2.272	-1.191	0.638
H12	2.349	-0.688	-1.061
H13	3.190	0.263	0.186

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0839	1.0829	1.3319	2.1282	2.3610	3.5693	3.7699	3.9128	4.7241	4.8182	4.9308	5.6458
H2	1.0839		1.8621	2.1095	3.0934	2.6300	3.9714	4.1956	4.5247	4.8686	4.7419	5.0359	5.8714
H3	1.0829	1.8621		2.0967	2.4640	3.3398	4.4243	4.5415	4.5991	5.6899	5.8509	5.8955	6.5573
C4	1.3319	2.1095	2.0967		1.0907	1.3685	2.3487	2.6650	2.5842	3.6359	3.9428	3.8884	4.4782
H5	2.1282	3.0934	2.4640	1.0907		2.0842	2.4969	2.7324	2.2919	3.9411	4.4707	4.2150	4.5939
O6	2.3610	2.6300	3.3398	1.3685	2.0842		1.4268	2.0752	2.0745	2.3744	2.6262	2.6263	3.3328
C7	3.5693	3.9714	4.4243	2.3487	2.4969	1.4268		1.0984	1.0996	1.5153	2.1527	2.1522	2.1558
H8	3.7699	4.1956	4.5415	2.6650	2.7324	2.0752	1.0984		1.7767	2.1667	2.5080	3.0711	2.5069
H9	3.9128	4.5247	4.5991	2.5842	2.2919	2.0745	1.0996	1.7767		2.1658	3.0711	2.5040	2.5080
C10	4.7241	4.8686	5.6899	3.6359	3.9411	2.3744	1.5153	2.1667	2.1658		1.0928	1.0929	1.0942
H11	4.8182	4.7419	5.8509	3.9428	4.4707	2.6262	2.1527	2.5080	3.0711	1.0928		1.7737	1.7777
H12	4.9308	5.0359	5.8955	3.8884	4.2150	2.6263	2.1522	3.0711	2.5040	1.0929	1.7737		1.7787
H13	5.6458	5.8714	6.5573	4.4782	4.5939	3.3328	2.1558	2.5069	2.5080	1.0942	1.7777	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	122.610	C1	C4	O6	121.920
H2	C1	H3	118.502	H2	C1	C4	121.325
H3	C1	C4	120.165	C4	O6	C7	114.314
H5	C4	O6	115.423	O6	C7	H8	109.850
O6	C7	H9	109.724	O6	C7	C10	107.577
C7	C10	H11	110.197	C7	C10	H12	110.163
C7	C10	H13	110.365	H8	C7	H9	107.865
H8	C7	C10	110.983	H9	C7	C10	110.843
H11	C10	H12	108.487	H11	C10	H13	108.745
H12	C10	H13	108.837

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

using model chemistry: MP3/6-31G*

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

using model chemistry: MP3/6-31G*

States and conformations

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