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	hartrees
Energy at 0K	-231.034969
Energy at 298.15K	-231.043343
Nuclear repulsion energy	172.730152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3302	3159	5.51
2	A	3210	3071	0.16
3	A	3173	3036	19.40
4	A	3165	3028	18.51
5	A	3140	3004	21.39
6	A	3087	2953	10.30
7	A	3083	2949	38.33
8	A	3034	2902	36.22
9	A	1733	1658	125.77
10	A	1574	1505	6.07
11	A	1562	1494	9.15
12	A	1544	1477	7.91
13	A	1480	1416	0.29
14	A	1456	1393	16.68
15	A	1405	1344	64.44
16	A	1367	1308	1.25
17	A	1317	1260	0.44
18	A	1211	1159	143.94
19	A	1171	1120	74.29
20	A	1152	1102	64.90
21	A	1083	1037	67.62
22	A	1016	972	20.92
23	A	994	951	5.74
24	A	903	864	85.27
25	A	859	821	2.21
26	A	836	799	5.01
27	A	719	688	3.43
28	A	491	470	2.20
29	A	417	399	4.16
30	A	250	239	1.06
31	A	207	198	0.76
32	A	81	77	0.97
33	A	67	64	4.02

Atom	x (Å)	y (Å)	z (Å)
C1	-2.456	-0.269	0.046
H2	-2.498	-1.308	0.342
H3	-3.383	0.263	-0.115
C4	-1.290	0.338	-0.133
H5	-1.224	1.386	-0.425
O6	-0.080	-0.325	-0.008
C7	1.086	0.533	0.198
H8	1.105	0.900	1.230
H9	1.039	1.396	-0.479
C10	2.298	-0.333	-0.103
H11	2.299	-1.202	0.558
H12	2.249	-0.683	-1.136
H13	3.222	0.231	0.045

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0814	1.0805	1.3273	2.1163	2.3778	3.6352	3.9303	3.9071	4.7567	4.8723	4.8695	5.6998
H2	1.0814		1.8599	2.0970	3.0772	2.6341	4.0322	4.3181	4.5277	4.9142	4.8028	5.0114	5.9309
H3	1.0805	1.8599		2.0949	2.4536	3.3569	4.4884	4.7283	4.5796	5.7119	5.9058	5.8018	6.6067
C4	1.3273	2.0970	2.0949		1.0892	1.3855	2.4067	2.8119	2.5810	3.6498	3.9655	3.8176	4.5160
H5	2.1163	3.0772	2.4536	1.0892		2.0997	2.5398	2.8977	2.2634	3.9317	4.4797	4.1047	4.6166
O6	2.3778	2.6341	3.3569	1.3855	2.0997		1.4619	2.1055	2.1062	2.3794	2.5971	2.6128	3.3482
C7	3.6352	4.0322	4.4884	2.4067	2.5398	1.4619		1.0955	1.0981	1.5193	2.1468	2.1473	2.1619
H8	3.9303	4.3181	4.7283	2.8119	2.8977	2.1055	1.0955		1.7807	2.1725	2.5084	3.0680	2.5161
H9	3.9071	4.5277	4.5796	2.5810	2.2634	2.1062	1.0981	1.7807		2.1718	3.0680	2.4943	2.5288
C10	4.7567	4.9142	5.7119	3.6498	3.9317	2.3794	1.5193	2.1725	2.1718		1.0917	1.0916	1.0929
H11	4.8723	4.8028	5.9058	3.9655	4.4797	2.5971	2.1468	2.5084	3.0680	1.0917		1.7724	1.7805
H12	4.8695	5.0114	5.8018	3.8176	4.1047	2.6128	2.1473	3.0680	2.4943	1.0916	1.7724		1.7823
H13	5.6998	5.9309	6.6067	4.5160	4.6166	3.3482	2.1619	2.5161	2.5288	1.0929	1.7805	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.962	C1	C4	O6	122.430
H2	C1	H3	118.699	H2	C1	C4	120.719
H3	C1	C4	120.575	C4	O6	C7	115.369
H5	C4	O6	115.575	O6	C7	H8	110.016
O6	C7	H9	109.909	O6	C7	C10	105.888
C7	C10	H11	109.521	C7	C10	H12	109.568
C7	C10	H13	110.654	H8	C7	H9	108.544
H8	C7	C10	111.339	H9	C7	C10	111.129
H11	C10	H12	108.536	H11	C10	H13	109.177
H12	C10	H13	109.351

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

using model chemistry: B1B95/3-21G

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	-0.480
2	H	0.214
3	H	0.201
4	C	0.094
5	H	0.196
6	O	-0.512
7	C	-0.175
8	H	0.216
9	H	0.203
10	C	-0.622
11	H	0.231
12	H	0.228
13	H	0.206

	x	y	z	Total
	1.097	1.491	0.066	1.852
CHELPG
AIM
ESP

	x	y	z
x	9.846	0.745	-0.026
y	0.745	5.882	-0.461
z	-0.026	-0.461	4.112

<r²>	163.131
(<r²>)^1/2	12.772

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

using model chemistry: B1B95/3-21G

States and conformations

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