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	hartrees
Energy at 0K	-42.978297
Energy at 298.15K	-42.986642
HF Energy	-42.276210
Nuclear repulsion energy	97.491156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3314	3158	7.07
2	A	3203	3052	0.92
3	A	3190	3040	28.47
4	A	3178	3028	27.65
5	A	3164	3015	23.21
6	A	3106	2959	43.42
7	A	3078	2933	18.58
8	A	3045	2901	56.97
9	A	1684	1605	126.83
10	A	1558	1485	5.29
11	A	1536	1464	3.77
12	A	1522	1450	6.30
13	A	1464	1395	24.87
14	A	1441	1373	22.03
15	A	1412	1345	51.02
16	A	1340	1277	7.50
17	A	1309	1248	0.50
18	A	1225	1167	168.17
19	A	1195	1139	37.56
20	A	1158	1104	113.26
21	A	1105	1053	30.97
22	A	991	944	10.73
23	A	944	899	43.69
24	A	864	823	5.93
25	A	828	789	0.52
26	A	720	686	50.28
27	A	683	651	11.92
28	A	492	469	1.84
29	A	436	416	1.70
30	A	264	252	0.67
31	A	218	207	0.85
32	A	94	90	3.10
33	A	64	61	1.65

Atom	x (Å)	y (Å)	z (Å)
C1	-2.481	-0.294	0.073
H2	-2.512	-1.365	0.245
H3	-3.409	0.264	0.023
C4	-1.310	0.348	-0.103
H5	-1.251	1.425	-0.279
O6	-0.108	-0.327	-0.125
C7	1.029	0.520	0.154
H8	0.957	0.899	1.183
H9	1.025	1.374	-0.539
C10	2.280	-0.330	-0.034
H11	2.264	-1.182	0.651
H12	2.331	-0.703	-1.060
H13	3.173	0.271	0.170

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0851	1.0838	1.3476	2.1434	2.3818	3.6042	3.8052	3.9312	4.7633	4.8619	4.9610	5.6838
H2	1.0851		1.8732	2.1215	3.1064	2.6444	4.0121	4.2473	4.5420	4.9108	4.7961	5.0592	5.9163
H3	1.0838	1.8732		2.1046	2.4693	3.3566	4.4470	4.5620	4.6054	5.7207	5.8876	5.9209	6.5840
C4	1.3476	2.1215	2.1046		1.0928	1.3783	2.3589	2.6641	2.5875	3.6544	3.9597	3.9085	4.4922
H5	2.1434	3.1064	2.4693	1.0928		2.0970	2.4903	2.6997	2.2911	3.9507	4.4734	4.2388	4.5941
O6	2.3818	2.6444	3.3566	1.3783	2.0970		1.4448	2.0858	2.0855	2.3905	2.6381	2.6392	3.3486
C7	3.6042	4.0121	4.4470	2.3589	2.4903	1.4448		1.0992	1.1000	1.5246	2.1608	2.1602	2.1592
H8	3.8052	4.2473	4.5620	2.6641	2.6997	2.0858	1.0992		1.7875	2.1779	2.5146	3.0803	2.5165
H9	3.9312	4.5420	4.6054	2.5875	2.2911	2.0855	1.1000	1.7875		2.1761	3.0797	2.5087	2.5171
C10	4.7633	4.9108	5.7207	3.6544	3.9507	2.3905	1.5246	2.1779	2.1761		1.0933	1.0934	1.0952
H11	4.8619	4.7961	5.8876	3.9597	4.4734	2.6381	2.1608	2.5146	3.0797	1.0933		1.7780	1.7803
H12	4.9610	5.0592	5.9209	3.9085	4.2388	2.6392	2.1602	3.0803	2.5087	1.0934	1.7780		1.7811
H13	5.6838	5.9163	6.5840	4.4922	4.5941	3.3486	2.1592	2.5165	2.5171	1.0952	1.7803	1.7811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	122.528	C1	C4	O6	121.789
H2	C1	H3	119.460	H2	C1	C4	121.021
H3	C1	C4	119.508	C4	O6	C7	113.327
H5	C4	O6	115.635	O6	C7	H8	109.394
O6	C7	H9	109.324	O6	C7	C10	107.195
C7	C10	H11	110.161	C7	C10	H12	110.113
C7	C10	H13	109.924	H8	C7	H9	108.743
H8	C7	C10	111.174	H9	C7	C10	110.978
H11	C10	H12	108.801	H11	C10	H13	108.870
H12	C10	H13	108.939

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

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

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