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	hartrees
Energy at 0K	-232.136326
Energy at 298.15K	-232.144467
Nuclear repulsion energy	172.693189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3214	3196	4.28
2	A	3107	3089	0.02
3	A	3075	3058	17.79
4	A	3074	3057	19.34
5	A	3055	3038	20.87
6	A	2986	2969	14.82
7	A	2958	2940	46.41
8	A	2916	2899	59.47
9	A	1672	1662	154.08
10	A	1446	1437	8.03
11	A	1426	1418	2.05
12	A	1404	1395	6.17
13	A	1376	1368	11.62
14	A	1348	1341	54.56
15	A	1324	1316	36.73
16	A	1285	1277	4.07
17	A	1245	1238	0.20
18	A	1196	1189	234.35
19	A	1126	1119	4.30
20	A	1110	1104	115.38
21	A	1067	1060	20.93
22	A	960	954	4.53
23	A	933	928	17.78
24	A	828	823	4.04
25	A	794	789	0.14
26	A	778	773	42.17
27	A	675	671	4.61
28	A	483	480	3.74
29	A	424	422	1.44
30	A	247	246	0.44
31	A	202	201	0.24
32	A	87	86	1.99
33	A	22	22	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	-2.462	-0.294	0.000
H2	-2.511	-1.392	0.000
H3	-3.394	0.284	-0.000
C4	-1.281	0.350	-0.000
H5	-1.219	1.454	-0.000
O6	-0.084	-0.308	-0.000
C7	1.075	0.539	0.000
H8	1.061	1.198	0.900
H9	1.061	1.198	-0.900
C10	2.304	-0.351	-0.000
H11	2.316	-1.002	0.897
H12	2.316	-1.001	-0.898
H13	3.225	0.264	0.000

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0989	1.0964	1.3455	2.1455	2.3775	3.6342	3.9305	3.9305	4.7660	4.9128	4.9129	5.7140
H2	1.0989		1.8939	2.1327	3.1260	2.6577	4.0735	4.5031	4.5033	4.9261	4.9256	4.9257	5.9703
H3	1.0964	1.8939		2.1142	2.4701	3.3618	4.4764	4.6360	4.6360	5.7327	5.9212	5.9211	6.6184
C4	1.3455	2.1327	2.1142		1.1063	1.3652	2.3635	2.6483	2.6482	3.6522	3.9455	3.9455	4.5060
H5	2.1455	3.1260	2.4701	1.1063		2.0961	2.4698	2.4647	2.4643	3.9582	4.3967	4.3965	4.5998
O6	2.3775	2.6577	3.3618	1.3652	2.0961		1.4366	2.0955	2.0955	2.3886	2.6549	2.6549	3.3583
C7	3.6342	4.0735	4.4764	2.3635	2.4698	1.4366		1.1153	1.1153	1.5173	2.1721	2.1721	2.1667
H8	3.9305	4.5031	4.6360	2.6483	2.4647	2.0955	1.1153		1.8002	2.1803	2.5319	3.1050	2.5221
H9	3.9305	4.5033	4.6360	2.6482	2.4643	2.0955	1.1153	1.8002		2.1803	3.1050	2.5319	2.5221
C10	4.7660	4.9261	5.7327	3.6522	3.9582	2.3886	1.5173	2.1803	2.1803		1.1080	1.1080	1.1079
H11	4.9128	4.9256	5.9212	3.9455	4.3967	2.6549	2.1721	2.5319	3.1050	1.1080		1.7947	1.7980
H12	4.9129	4.9257	5.9211	3.9455	4.3965	2.6549	2.1721	3.1050	2.5319	1.1080	1.7947		1.7980
H13	5.7140	5.9703	6.6184	4.5060	4.5998	3.3583	2.1667	2.5221	2.5221	1.1079	1.7980	1.7980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.802	C1	C4	O6	122.582
H2	C1	H3	119.240	H2	C1	C4	121.163
H3	C1	C4	119.597	C4	O6	C7	115.014
H5	C4	O6	115.616	O6	C7	H8	109.762
O6	C7	H9	109.762	O6	C7	C10	107.891
C7	C10	H11	110.697	C7	C10	H12	110.698
C7	C10	H13	110.277	H8	C7	H9	107.618
H8	C7	C10	110.905	H9	C7	C10	110.905
H11	C10	H12	108.164	H11	C10	H13	108.464
H12	C10	H13	108.464

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

using model chemistry: PBEPBE/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	-0.069
2	H	0.024
3	H	0.027
4	C	0.061
5	H	-0.004
6	O	-0.219
7	C	0.049
8	H	0.031
9	H	0.031
10	C	-0.063
11	H	0.048
12	H	0.048
13	H	0.035

	x	y	z	Total
	1.276	1.171	0.000	1.732
CHELPG
AIM
ESP

	x	y	z
x	11.117	0.767	0.000
y	0.767	7.130	-0.000
z	0.000	-0.000	5.093

<r²>	164.077
(<r²>)^1/2	12.809

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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