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	hartrees
Energy at 0K	-229.674639
Energy at 298.15K	-229.683273
Nuclear repulsion energy	173.698956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3433	3099	8.93
2	A	3352	3025	2.36
3	A	3315	2992	19.65
4	A	3293	2973	32.30
5	A	3278	2959	29.23
6	A	3233	2918	37.90
7	A	3215	2902	17.82
8	A	3193	2882	37.49
9	A	1870	1688	129.11
10	A	1700	1534	8.49
11	A	1673	1510	5.18
12	A	1656	1495	5.02
13	A	1600	1444	0.33
14	A	1575	1422	10.26
15	A	1539	1390	79.30
16	A	1477	1333	0.83
17	A	1431	1291	0.19
18	A	1301	1174	74.74
19	A	1275	1151	110.53
20	A	1245	1124	123.22
21	A	1169	1055	85.33
22	A	1141	1030	9.38
23	A	1069	965	104.22
24	A	1036	935	6.51
25	A	920	831	2.63
26	A	906	817	7.16
27	A	797	720	2.93
28	A	521	470	2.88
29	A	446	402	3.19
30	A	258	233	1.22
31	A	228	206	1.91
32	A	82	74	3.96
33	A	63	57	4.16

Atom	x (Å)	y (Å)	z (Å)
C1	-2.420	-0.298	0.112
H2	-2.402	-1.334	0.384
H3	-3.368	0.196	0.053
C4	-1.310	0.345	-0.160
H5	-1.302	1.385	-0.434
O6	-0.077	-0.275	-0.153
C7	1.070	0.524	0.216
H8	1.007	0.800	1.261
H9	1.095	1.430	-0.379
C10	2.296	-0.339	-0.052
H11	2.237	-1.246	0.535
H12	2.326	-0.610	-1.100
H13	3.204	0.193	0.206

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0708	1.0706	1.3117	2.0932	2.3586	3.5876	3.7778	3.9485	4.7197	4.7714	4.9088	5.6465
H2	1.0708		1.8395	2.0748	3.0445	2.6102	3.9412	4.1160	4.5225	4.8218	4.6417	5.0077	5.8126
H3	1.0706	1.8395		2.0749	2.4334	3.3314	4.4538	4.5789	4.6516	5.6909	5.8076	5.8657	6.5741
C4	1.3117	2.0748	2.0749		1.0756	1.3800	2.4164	2.7558	2.6481	3.6720	3.9486	3.8748	4.5311
H5	2.0932	3.0445	2.4334	1.0756		2.0820	2.6058	2.9230	2.3982	4.0080	4.5144	4.1932	4.7042
O6	2.3586	2.6102	3.3314	1.3800	2.0820		1.4459	2.0812	2.0821	2.3762	2.6016	2.6044	3.3334
C7	3.5876	3.9412	4.4538	2.4164	2.6058	1.4459		1.0830	1.0851	1.5233	2.1434	2.1432	2.1591
H8	3.7778	4.1160	4.5789	2.7558	2.9230	2.0812	1.0830		1.7598	2.1654	2.4959	3.0502	2.5123
H9	3.9485	4.5225	4.6516	2.6481	2.3982	2.0821	1.0851	1.7598		2.1637	3.0498	2.4891	2.5137
C10	4.7197	4.8218	5.6909	3.6720	4.0080	2.3762	1.5233	2.1654	2.1637		1.0817	1.0818	1.0836
H11	4.7714	4.6417	5.8076	3.9486	4.5144	2.6016	2.1434	2.4959	3.0498	1.0817		1.7559	1.7650
H12	4.9088	5.0077	5.8657	3.8748	4.1932	2.6044	2.1432	3.0502	2.4891	1.0818	1.7559		1.7659
H13	5.6465	5.8126	6.5741	4.5311	4.7042	3.3334	2.1591	2.5123	2.5137	1.0836	1.7650	1.7659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	122.213	C1	C4	O6	122.360
H2	C1	H3	118.407	H2	C1	C4	120.781
H3	C1	C4	120.804	C4	O6	C7	117.514
H5	C4	O6	115.402	O6	C7	H8	109.932
O6	C7	H9	109.878	O6	C7	C10	106.282
C7	C10	H11	109.568	C7	C10	H12	109.546
C7	C10	H13	110.706	H8	C7	H9	108.516
H8	C7	C10	111.240	H9	C7	C10	110.980
H11	C10	H12	108.507	H11	C10	H13	109.200
H12	C10	H13	109.278

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

using model chemistry: HF/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	CHELPG
1	C	-0.511	-0.572
2	H	0.230	0.223
3	H	0.212	0.190
4	C	0.180	0.230
5	H	0.212	0.078
6	O	-0.680	-0.451
7	C	-0.081	0.388
8	H	0.204	-0.012
9	H	0.193	-0.008
10	C	-0.608	-0.348
11	H	0.227	0.104
12	H	0.224	0.098
13	H	0.196	0.080

	x	y	z	Total
	0.782	1.694	0.404	1.909
CHELPG	0.744	1.673	0.409	1.876
AIM
ESP

	x	y	z
x	9.070	0.875	-0.327
y	0.875	5.784	-0.518
z	-0.327	-0.518	4.018

<r²>	161.964
(<r²>)^1/2	12.727

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

using model chemistry: HF/3-21G*

States and conformations

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