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	hartrees
Energy at 0K	-230.202911
Energy at 298.15K	-230.211301
HF Energy	-229.670200
Nuclear repulsion energy	170.955339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3238	3139	8.62
2	A	3154	3057	1.10
3	A	3122	3026	24.30
4	A	3111	3015	23.18
5	A	3102	3007	20.38
6	A	3043	2950	13.24
7	A	3040	2946	37.71
8	A	3000	2908	32.33
9	A	1699	1646	66.67
10	A	1600	1551	7.27
11	A	1580	1531	5.61
12	A	1564	1516	4.42
13	A	1494	1448	0.22
14	A	1474	1429	8.57
15	A	1426	1382	68.87
16	A	1368	1326	1.57
17	A	1331	1290	0.18
18	A	1210	1173	20.09
19	A	1174	1138	57.46
20	A	1150	1114	80.26
21	A	1066	1033	82.66
22	A	994	963	25.81
23	A	969	939	7.94
24	A	889	862	54.82
25	A	862	836	0.96
26	A	831	806	6.19
27	A	719	697	2.31
28	A	484	469	1.86
29	A	420	407	2.96
30	A	251	243	1.09
31	A	220	213	1.46
32	A	84	81	0.42
33	A	70	68	5.31

Atom	x (Å)	y (Å)	z (Å)
C1	-2.462	-0.273	0.118
H2	-2.470	-1.312	0.437
H3	-3.414	0.244	0.026
C4	-1.312	0.348	-0.178
H5	-1.272	1.393	-0.497
O6	-0.073	-0.333	-0.151
C7	1.073	0.518	0.240
H8	1.010	0.774	1.308
H9	1.066	1.454	-0.345
C10	2.331	-0.315	-0.063
H11	2.295	-1.250	0.509
H12	2.357	-0.557	-1.133
H13	3.238	0.243	0.208

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0874	1.0870	1.3396	2.1378	2.4055	3.6246	3.8169	3.9557	4.7967	4.8724	4.9871	5.7243
H2	1.0874		1.8662	2.1151	3.1028	2.6559	3.9929	4.1500	4.5574	4.9290	4.7661	5.1320	5.9207
H3	1.0870	1.8662		2.1140	2.4863	3.3955	4.5003	4.6361	4.6557	5.7727	5.9211	5.9407	6.6545
C4	1.3396	2.1151	2.1140		1.0939	1.4143	2.4275	2.7898	2.6288	3.7047	4.0048	3.8981	4.5679
H5	2.1378	3.1028	2.4863	1.0939		2.1299	2.6089	2.9744	2.3443	4.0107	4.5522	4.1688	4.7074
O6	2.4055	2.6559	3.3955	1.4143	2.1299		1.4794	2.1274	2.1274	2.4051	2.6235	2.6302	3.3794
C7	3.6246	3.9929	4.5003	2.4275	2.6089	1.4794		1.1006	1.1030	1.5389	2.1666	2.1655	2.1828
H8	3.8169	4.1500	4.6361	2.7898	2.9744	2.1274	1.1006		1.7883	2.1936	2.5281	3.0898	2.5414
H9	3.9557	4.5574	4.6557	2.6288	2.3443	2.1274	1.1030	1.7883		2.1919	3.0902	2.5157	2.5468
C10	4.7967	4.9290	5.7727	3.7047	4.0107	2.4051	1.5389	2.1936	2.1919		1.0971	1.0971	1.0988
H11	4.8724	4.7661	5.9211	4.0048	4.5522	2.6235	2.1666	2.5281	3.0902	1.0971		1.7828	1.7916
H12	4.9871	5.1320	5.9407	3.8981	4.1688	2.6302	2.1655	3.0898	2.5157	1.0971	1.7828		1.7926
H13	5.7243	5.9207	6.6545	4.5679	4.7074	3.3794	2.1828	2.5414	2.5468	1.0988	1.7916	1.7926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	122.596	C1	C4	O6	121.704
H2	C1	H3	118.238	H2	C1	C4	120.913
H3	C1	C4	120.838	C4	O6	C7	114.028
H5	C4	O6	115.648	O6	C7	H8	110.224
O6	C7	H9	110.077	O6	C7	C10	105.644
C7	C10	H11	109.419	C7	C10	H12	109.334
C7	C10	H13	110.591	H8	C7	H9	108.491
H8	C7	C10	111.337	H9	C7	C10	111.057
H11	C10	H12	108.681	H11	C10	H13	109.348
H12	C10	H13	109.438

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

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

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