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	hartrees
Energy at 0K	-232.222026
Energy at 298.15K	-232.230199
HF Energy	-232.222026
Nuclear repulsion energy	173.257910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3199	3160	4.56
2	A	3103	3065	0.04
3	A	3060	3023	22.08
4	A	3058	3021	23.49
5	A	3054	3017	15.27
6	A	2983	2946	14.37
7	A	2959	2923	36.06
8	A	2923	2888	56.06
9	A	1656	1636	165.31
10	A	1468	1450	6.04
11	A	1449	1431	3.30
12	A	1432	1414	6.56
13	A	1392	1375	1.03
14	A	1364	1347	40.74
15	A	1341	1325	34.29
16	A	1299	1283	6.57
17	A	1256	1241	0.41
18	A	1190	1176	228.65
19	A	1136	1122	3.87
20	A	1108	1095	113.32
21	A	1062	1049	43.83
22	A	961	949	5.76
23	A	937	925	23.32
24	A	827	817	4.21
25	A	798	788	31.74
26	A	793	783	18.25
27	A	677	669	8.96
28	A	486	480	3.23
29	A	425	420	1.58
30	A	239	236	0.35
31	A	202	200	0.24
32	A	87	86	2.15
33	A	37	37	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	-2.458	-0.289	0.030
H2	-2.511	-1.372	0.138
H3	-3.383	0.278	-0.022
C4	-1.284	0.347	-0.052
H5	-1.218	1.436	-0.159
O6	-0.087	-0.309	-0.035
C7	1.073	0.531	0.076
H8	1.048	1.065	1.042
H9	1.056	1.287	-0.729
C10	2.309	-0.344	-0.027
H11	2.318	-1.093	0.775
H12	2.331	-0.868	-0.991
H13	3.217	0.268	0.058

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0890	1.0870	1.3374	2.1325	2.3711	3.6249	3.8920	3.9255	4.7671	4.8998	4.9305	5.7020
H2	1.0890		1.8729	2.1204	3.1050	2.6521	4.0581	4.4071	4.5328	4.9310	4.8790	4.9974	5.9586
H3	1.0870	1.8729		2.1004	2.4590	3.3478	4.4647	4.6249	4.6077	5.7261	5.9179	5.9083	6.6010
C4	1.3374	2.1204	2.1004		1.0956	1.3651	2.3680	2.6743	2.6118	3.6592	3.9670	3.9283	4.5035
H5	2.1325	3.1050	2.4590	1.0956		2.0828	2.4750	2.5918	2.3502	3.9530	4.4469	4.3127	4.5919
O6	2.3711	2.6521	3.3478	1.3651	2.0828		1.4365	2.0821	2.0824	2.3965	2.6565	2.6603	3.3557
C7	3.6249	4.0581	4.4647	2.3680	2.4750	1.4365		1.1042	1.1047	1.5174	2.1622	2.1627	2.1601
H8	3.8920	4.4071	4.6249	2.6743	2.5918	2.0821	1.1042		1.7854	2.1717	2.5180	3.0847	2.5113
H9	3.9255	4.5328	4.6077	2.6118	2.3502	2.0824	1.1047	1.7854		2.1725	3.0850	2.5168	2.5153
C10	4.7671	4.9310	5.7261	3.6592	3.9530	2.3965	1.5174	2.1717	2.1725		1.0976	1.0977	1.0983
H11	4.8998	4.8790	5.9179	3.9670	4.4469	2.6565	2.1622	2.5180	3.0850	1.0976		1.7805	1.7814
H12	4.9305	4.9974	5.9083	3.9283	4.3127	2.6603	2.1627	3.0847	2.5168	1.0977	1.7805		1.7823
H13	5.7020	5.9586	6.6010	4.5035	4.5919	3.3557	2.1601	2.5113	2.5153	1.0983	1.7814	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	122.129	C1	C4	O6	122.653
H2	C1	H3	118.788	H2	C1	C4	121.489
H3	C1	C4	119.719	C4	O6	C7	115.371
H5	C4	O6	115.206	O6	C7	H8	109.374
O6	C7	H9	109.369	O6	C7	C10	108.422
C7	C10	H11	110.531	C7	C10	H12	110.563
C7	C10	H13	110.320	H8	C7	H9	107.854
H8	C7	C10	110.882	H9	C7	C10	110.919
H11	C10	H12	108.405	H11	C10	H13	108.439
H12	C10	H13	108.515

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

using model chemistry: PBEPBE/Def2TZVPP

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	-0.251
2	H	0.079
3	H	0.093
4	C	0.047
5	H	0.058
6	O	-0.198
7	C	0.003
8	H	0.076
9	H	0.076
10	C	-0.239
11	H	0.090
12	H	0.090
13	H	0.078

	x	y	z	Total
	1.291	1.198	-0.000	1.761
CHELPG
AIM
ESP

	x	y	z
x	11.960	0.770	0.000
y	0.770	7.799	0.000
z	0.000	0.000	6.500

<r²>	163.785
(<r²>)^1/2	12.798

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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