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	hartrees
Energy at 0K	-232.323127
Energy at 298.15K	-232.331371
Nuclear repulsion energy	174.275210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3300	3172	4.25
2	A	3191	3068	0.12
3	A	3163	3041	20.29
4	A	3162	3040	19.67
5	A	3147	3025	18.88
6	A	3070	2951	15.17
7	A	3056	2938	45.34
8	A	3011	2894	55.61
9	A	1742	1675	174.16
10	A	1496	1438	9.00
11	A	1472	1415	1.77
12	A	1448	1392	6.11
13	A	1425	1370	17.83
14	A	1397	1343	72.10
15	A	1369	1316	28.20
16	A	1322	1271	4.22
17	A	1291	1241	0.52
18	A	1243	1194	267.99
19	A	1166	1121	7.08
20	A	1164	1119	113.07
21	A	1105	1062	4.75
22	A	992	953	4.59
23	A	976	938	15.88
24	A	860	827	3.87
25	A	832	800	44.50
26	A	814	783	3.59
27	A	704	677	3.26
28	A	493	474	3.17
29	A	431	415	1.45
30	A	253	243	0.54
31	A	204	196	0.23
32	A	88	84	2.52
33	A	9	9	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-2.441	-0.292	0.003
H2	-2.490	-1.380	0.013
H3	-3.365	0.282	-0.002
C4	-1.270	0.345	-0.005
H5	-1.209	1.439	-0.015
O6	-0.083	-0.303	-0.003
C7	1.064	0.534	0.007
H8	1.050	1.175	0.906
H9	1.050	1.196	-0.876
C10	2.286	-0.348	-0.003
H11	2.297	-1.003	0.879
H12	2.298	-0.981	-0.900
H13	3.198	0.263	0.005

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0896	1.0873	1.3325	2.1248	2.3578	3.6000	3.8923	3.8950	4.7267	4.8698	4.8727	5.6657
H2	1.0896		1.8780	2.1125	3.0970	2.6366	4.0357	4.4557	4.4674	4.8856	4.8785	4.8901	5.9202
H3	1.0873	1.8780		2.0955	2.4472	3.3334	4.4352	4.5945	4.5922	5.6853	5.8715	5.8704	6.5625
C4	1.3325	2.1125	2.0955		1.0964	1.3526	2.3411	2.6270	2.6204	3.6226	3.9138	3.9099	4.4686
H5	2.1248	3.0970	2.4472	1.0964		2.0749	2.4460	2.4534	2.4292	3.9251	4.3647	4.3515	4.5608
O6	2.3578	2.6366	3.3334	1.3526	2.0749		1.4196	2.0727	2.0726	2.3691	2.6322	2.6328	3.3294
C7	3.6000	4.0357	4.4352	2.3411	2.4460	1.4196		1.1045	1.1045	1.5073	2.1543	2.1544	2.1515
H8	3.8923	4.4557	4.5945	2.6270	2.4534	2.0727	1.1045		1.7827	2.1622	2.5098	3.0774	2.5017
H9	3.8950	4.4674	4.5922	2.6204	2.4292	2.0726	1.1045	1.7827		2.1623	3.0774	2.5096	2.5023
C10	4.7267	4.8856	5.6853	3.6226	3.9251	2.3691	1.5073	2.1622	2.1623		1.0981	1.0981	1.0981
H11	4.8698	4.8785	5.8715	3.9138	4.3647	2.6322	2.1543	2.5098	3.0774	1.0981		1.7792	1.7827
H12	4.8727	4.8901	5.8704	3.9099	4.3515	2.6328	2.1544	3.0774	2.5096	1.0981	1.7792		1.7828
H13	5.6657	5.9202	6.5625	4.4686	4.5608	3.3294	2.1515	2.5017	2.5023	1.0981	1.7827	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.742	C1	C4	O6	122.830
H2	C1	H3	119.242	H2	C1	C4	121.109
H3	C1	C4	119.648	C4	O6	C7	115.218
H5	C4	O6	115.428	O6	C7	H8	109.772
O6	C7	H9	109.766	O6	C7	C10	108.042
C7	C10	H11	110.572	C7	C10	H12	110.580
C7	C10	H13	110.348	H8	C7	H9	107.612
H8	C7	C10	110.822	H9	C7	C10	110.827
H11	C10	H12	108.212	H11	C10	H13	108.524
H12	C10	H13	108.533

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

using model chemistry: B1B95/cc-pVDZ

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	-0.065
2	H	0.028
3	H	0.029
4	C	0.074
5	H	0.001
6	O	-0.264
7	C	0.061
8	H	0.029
9	H	0.029
10	C	-0.050
11	H	0.047
12	H	0.047
13	H	0.033

	x	y	z	Total
	1.193	1.256	0.004	1.732
CHELPG
AIM
ESP

	x	y	z
x	10.519	0.774	-0.005
y	0.774	6.866	-0.014
z	-0.005	-0.014	4.949

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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