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	hartrees
Energy at 0K	-231.049129
Energy at 298.15K	-231.057344
Nuclear repulsion energy	170.444124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3195	3174	9.40
2	A	3110	3089	0.11
3	A	3065	3045	27.33
4	A	3055	3035	23.68
5	A	3036	3017	27.32
6	A	2992	2972	13.71
7	A	2971	2952	44.93
8	A	2934	2915	41.81
9	A	1651	1640	101.96
10	A	1542	1532	3.04
11	A	1529	1519	11.25
12	A	1516	1506	6.03
13	A	1447	1437	0.48
14	A	1423	1414	8.38
15	A	1363	1354	77.68
16	A	1329	1320	1.91
17	A	1282	1274	0.46
18	A	1161	1153	64.76
19	A	1125	1117	50.23
20	A	1104	1097	70.25
21	A	1013	1006	137.61
22	A	967	961	23.11
23	A	947	941	6.69
24	A	838	833	5.13
25	A	831	826	62.51
26	A	789	784	3.40
27	A	687	683	4.09
28	A	477	474	2.70
29	A	407	404	3.54
30	A	243	242	1.02
31	A	204	203	0.65
32	A	84	83	0.64
33	A	66	66	3.28

Atom	x (Å)	y (Å)	z (Å)
C1	-2.490	-0.265	0.046
H2	-2.541	-1.307	0.362
H3	-3.422	0.269	-0.136
C4	-1.308	0.342	-0.140
H5	-1.239	1.393	-0.450
O6	-0.084	-0.339	-0.000
C7	1.104	0.537	0.209
H8	1.129	0.893	1.255
H9	1.050	1.416	-0.462
C10	2.331	-0.333	-0.113
H11	2.339	-1.218	0.540
H12	2.283	-0.668	-1.160
H13	3.259	0.241	0.044

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0899	1.0891	1.3422	2.1362	2.4073	3.6864	3.9873	3.9518	4.8238	4.9468	4.9398	5.7710
H2	1.0899		1.8726	2.1198	3.1061	2.6654	4.0881	4.3709	4.5814	4.9907	4.8838	5.0989	6.0110
H3	1.0891	1.8726		2.1150	2.4758	3.3947	4.5468	4.7988	4.6279	5.7836	5.9875	5.8713	6.6827
C4	1.3422	2.1198	2.1150		1.0978	1.4072	2.4449	2.8611	2.6107	3.7007	4.0246	3.8677	4.5714
H5	2.1362	3.1061	2.4758	1.0978		2.1291	2.5796	2.9598	2.2886	3.9786	4.5384	4.1420	4.6686
O6	2.4073	2.6654	3.3947	1.4072	2.1291		1.4913	2.1365	2.1397	2.4176	2.6340	2.6570	3.3931
C7	3.6864	4.0881	4.5468	2.4449	2.5796	1.4913		1.1049	1.1068	1.5380	2.1718	2.1726	2.1812
H8	3.9873	4.3709	4.7988	2.8611	2.9598	2.1365	1.1049		1.7963	2.1954	2.5367	3.0993	2.5357
H9	3.9518	4.5814	4.6279	2.6107	2.2886	2.1397	1.1068	1.7963		2.1952	3.0991	2.5206	2.5525
C10	4.8238	4.9907	5.7836	3.7007	3.9786	2.4176	1.5380	2.1954	2.1952		1.1007	1.1005	1.1021
H11	4.9468	4.8838	5.9875	4.0246	4.5384	2.6340	2.1718	2.5367	3.0991	1.1007		1.7879	1.7946
H12	4.9398	5.0989	5.8713	3.8677	4.1420	2.6570	2.1726	3.0993	2.5206	1.1005	1.7879		1.7966
H13	5.7710	6.0110	6.6827	4.5714	4.6686	3.3931	2.1812	2.5357	2.5525	1.1021	1.7946	1.7966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.892	C1	C4	O6	122.204
H2	C1	H3	118.506	H2	C1	C4	120.940
H3	C1	C4	120.542	C4	O6	C7	114.997
H5	C4	O6	115.859	O6	C7	H8	109.873
O6	C7	H9	110.004	O6	C7	C10	105.885
C7	C10	H11	109.679	C7	C10	H12	109.746
C7	C10	H13	110.329	H8	C7	H9	108.623
H8	C7	C10	111.286	H9	C7	C10	111.150
H11	C10	H12	108.631	H11	C10	H13	109.121
H12	C10	H13	109.306

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.409
2	H	0.175
3	H	0.166
4	C	0.093
5	H	0.159
6	O	-0.447
7	C	-0.136
8	H	0.185
9	H	0.175
10	C	-0.536
11	H	0.200
12	H	0.196
13	H	0.177

	x	y	z	Total
	1.210	1.365	0.049	1.824
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	167.319
(<r²>)^1/2	12.935

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

using model chemistry: BLYP/3-21G*

States and conformations

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