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	hartrees
Energy at 0K	-231.686872
Energy at 298.15K	-231.695336
HF Energy	-230.950954
Nuclear repulsion energy	173.808314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3305	3128	7.62
2	A	3215	3043	0.84
3	A	3181	3011	23.34
4	A	3172	3002	32.17
5	A	3171	3001	11.76
6	A	3090	2924	13.92
7	A	3086	2921	43.92
8	A	3042	2880	42.65
9	A	1770	1675	103.10
10	A	1583	1498	5.73
11	A	1553	1470	2.87
12	A	1537	1455	4.95
13	A	1490	1410	19.89
14	A	1468	1390	34.33
15	A	1439	1362	39.54
16	A	1373	1300	2.26
17	A	1334	1262	0.39
18	A	1255	1188	164.67
19	A	1219	1154	35.54
20	A	1197	1133	94.93
21	A	1130	1070	10.88
22	A	1014	960	10.83
23	A	981	929	23.45
24	A	889	841	6.27
25	A	851	805	47.60
26	A	844	799	1.27
27	A	724	685	2.15
28	A	504	477	1.58
29	A	448	424	1.53
30	A	265	251	0.82
31	A	225	213	1.07
32	A	90	85	3.06
33	A	68	64	1.91

Atom	x (Å)	y (Å)	z (Å)
C1	-2.429	-0.288	0.093
H2	-2.453	-1.353	0.303
H3	-3.370	0.250	0.043
C4	-1.279	0.351	-0.121
H5	-1.230	1.421	-0.333
O6	-0.077	-0.309	-0.140
C7	1.049	0.514	0.165
H8	0.977	0.878	1.201
H9	1.060	1.391	-0.501
C10	2.295	-0.327	-0.030
H11	2.272	-1.198	0.633
H12	2.354	-0.680	-1.065
H13	3.192	0.262	0.194

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0858	1.0848	1.3328	2.1309	2.3634	3.5701	3.7670	3.9175	4.7262	4.8187	4.9373	5.6492
H2	1.0858		1.8650	2.1117	3.0977	2.6324	3.9708	4.1890	4.5296	4.8691	4.7388	5.0431	5.8726
H3	1.0848	1.8650		2.0996	2.4681	3.3444	4.4283	4.5422	4.6066	5.6948	5.8543	5.9041	6.5638
C4	1.3328	2.1117	2.0996		1.0925	1.3706	2.3511	2.6674	2.5881	3.6389	3.9463	3.8929	4.4831
H5	2.1309	3.0977	2.4681	1.0925		2.0874	2.5029	2.7424	2.2962	3.9463	4.4782	4.2187	4.6019
O6	2.3634	2.6324	3.3444	1.3706	2.0874		1.4275	2.0776	2.0770	2.3752	2.6280	2.6282	3.3358
C7	3.5701	3.9708	4.4283	2.3511	2.5029	1.4275		1.1003	1.1014	1.5159	2.1550	2.1546	2.1583
H8	3.7670	4.1890	4.5422	2.6674	2.7424	2.0776	1.1003		1.7794	2.1688	2.5112	3.0752	2.5099
H9	3.9175	4.5296	4.6066	2.5881	2.2962	2.0770	1.1014	1.7794		2.1678	3.0752	2.5069	2.5109
C10	4.7262	4.8691	5.6948	3.6389	3.9463	2.3752	1.5159	2.1688	2.1678		1.0948	1.0948	1.0962
H11	4.8187	4.7388	5.8543	3.9463	4.4782	2.6280	2.1550	2.5112	3.0752	1.0948		1.7765	1.7805
H12	4.9373	5.0431	5.9041	3.8929	4.2187	2.6282	2.1546	3.0752	2.5069	1.0948	1.7765		1.7815
H13	5.6492	5.8726	6.5638	4.4831	4.6019	3.3358	2.1583	2.5099	2.5109	1.0962	1.7805	1.7815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	122.637	C1	C4	O6	121.899
H2	C1	H3	118.465	H2	C1	C4	121.311
H3	C1	C4	120.216	C4	O6	C7	114.313
H5	C4	O6	115.416	O6	C7	H8	109.870
O6	C7	H9	109.752	O6	C7	C10	107.556
C7	C10	H11	110.225	C7	C10	H12	110.189
C7	C10	H13	110.398	H8	C7	H9	107.839
H8	C7	C10	110.987	H9	C7	C10	110.840
H11	C10	H12	108.461	H11	C10	H13	108.713
H12	C10	H13	108.804

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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