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	hartrees
Energy at 0K	-43.302069
Energy at 298.15K	-43.310323
Nuclear repulsion energy	96.264403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3244	3161	19.06
2	A	3137	3057	3.46
3	A	3106	3027	49.56
4	A	3105	3026	30.02
5	A	3091	3012	42.27
6	A	3022	2945	51.78
7	A	3004	2927	28.85
8	A	2965	2890	65.42
9	A	1671	1628	143.66
10	A	1535	1496	6.62
11	A	1518	1480	8.69
12	A	1503	1464	7.37
13	A	1445	1408	13.73
14	A	1434	1397	9.43
15	A	1396	1361	60.96
16	A	1335	1301	3.14
17	A	1290	1257	0.05
18	A	1177	1147	169.25
19	A	1170	1140	5.50
20	A	1130	1101	122.50
21	A	1075	1048	83.86
22	A	979	954	20.95
23	A	974	949	37.93
24	A	870	848	70.44
25	A	828	806	1.55
26	A	820	799	4.64
27	A	688	670	4.76
28	A	479	467	3.03
29	A	421	410	2.36
30	A	237	231	0.84
31	A	198	193	0.48
32	A	87	84	5.84
33	A	37	36	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-2.524	-0.316	0.000
H2	-2.546	-1.402	0.001
H3	-3.465	0.226	0.000
C4	-1.355	0.361	-0.000
H5	-1.301	1.453	-0.001
O6	-0.117	-0.302	-0.000
C7	1.083	0.557	0.000
H8	1.069	1.198	0.897
H9	1.069	1.199	-0.895
C10	2.306	-0.368	-0.000
H11	2.301	-1.010	0.888
H12	2.301	-1.009	-0.889
H13	3.230	0.225	0.001

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0866	1.0857	1.3509	2.1501	2.4073	3.7112	4.0004	4.0007	4.8300	4.9544	4.9549	5.7790
H2	1.0866		1.8696	2.1275	3.1143	2.6664	4.1240	4.5418	4.5427	4.9604	4.9425	4.9434	6.0004
H3	1.0857	1.8696		2.1145	2.4874	3.3896	4.5600	4.7226	4.7227	5.8011	5.9629	5.9632	6.6945
C4	1.3509	2.1275	2.1145		1.0931	1.4044	2.4457	2.7164	2.7161	3.7322	4.0036	4.0036	4.5863
H5	2.1501	3.1143	2.4874	1.0931		2.1171	2.5465	2.5467	2.5455	4.0401	4.4525	4.4519	4.6937
O6	2.4073	2.6664	3.3896	1.4044	2.1171		1.4760	2.1121	2.1121	2.4233	2.6709	2.6710	3.3878
C7	3.7112	4.1240	4.5600	2.4457	2.5465	1.4760		1.1018	1.1018	1.5333	2.1741	2.1741	2.1720
H8	4.0004	4.5418	4.7226	2.7164	2.5467	2.1121	1.1018		1.7915	2.1879	2.5284	3.0947	2.5334
H9	4.0007	4.5427	4.7227	2.7161	2.5455	2.1121	1.1018	1.7915		2.1879	3.0947	2.5284	2.5335
C10	4.8300	4.9604	5.8011	3.7322	4.0401	2.4233	1.5333	2.1879	2.1879		1.0959	1.0959	1.0982
H11	4.9544	4.9425	5.9629	4.0036	4.4525	2.6709	2.1741	2.5284	3.0947	1.0959		1.7776	1.7826
H12	4.9549	4.9434	5.9632	4.0036	4.4519	2.6710	2.1741	3.0947	2.5284	1.0959	1.7776		1.7826
H13	5.7790	6.0004	6.6945	4.5863	4.6937	3.3878	2.1720	2.5334	2.5335	1.0982	1.7826	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	122.873	C1	C4	O6	121.772
H2	C1	H3	118.786	H2	C1	C4	121.201
H3	C1	C4	120.014	C4	O6	C7	116.205
H5	C4	O6	115.355	O6	C7	H8	109.181
O6	C7	H9	109.180	O6	C7	C10	107.258
C7	C10	H11	110.454	C7	C10	H12	110.456
C7	C10	H13	110.155	H8	C7	H9	108.779
H8	C7	C10	111.199	H9	C7	C10	111.199
H11	C10	H12	108.382	H11	C10	H13	108.668
H12	C10	H13	108.669

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.383
2	H	0.133
3	H	0.127
4	C	0.078
5	H	0.107
6	O	-0.236
7	C	-0.114
8	H	0.137
9	H	0.137
10	C	-0.454
11	H	0.164
12	H	0.164
13	H	0.141

	x	y	z	Total
	1.110	1.739	0.001	2.063
CHELPG
AIM
ESP

	x	y	z
x	11.186	1.026	-0.002
y	1.026	7.208	-0.001
z	-0.002	-0.001	5.462

<r²>	137.396
(<r²>)^1/2	11.722

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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