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	hartrees
Energy at 0K	-232.371045
Energy at 298.15K
HF Energy	-232.371045
Nuclear repulsion energy	173.180602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3210	3164	8.09
2	A	3117	3072	0.24
3	A	3074	3030	31.60
4	A	3071	3026	30.83
5	A	3066	3022	23.60
6	A	2994	2951	19.45
7	A	2975	2932	45.55
8	A	2938	2895	63.80
9	A	1663	1639	155.90
10	A	1495	1473	7.64
11	A	1475	1454	3.63
12	A	1458	1437	5.93
13	A	1418	1397	4.74
14	A	1392	1372	32.52
15	A	1368	1348	42.89
16	A	1323	1304	8.23
17	A	1277	1258	0.22
18	A	1188	1170	209.38
19	A	1153	1137	3.91
20	A	1111	1095	120.40
21	A	1057	1041	87.86
22	A	966	952	7.38
23	A	943	929	26.93
24	A	830	818	6.31
25	A	812	801	0.11
26	A	790	778	53.93
27	A	680	670	8.26
28	A	491	484	3.72
29	A	431	425	1.72
30	A	248	244	0.47
31	A	205	202	0.27
32	A	82	81	2.92
33	A	36i	35i	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	-2.458	-0.292	-0.000
H2	-2.514	-1.376	-0.001
H3	-3.380	0.279	-0.000
C4	-1.285	0.348	0.000
H5	-1.223	1.439	0.001
O6	-0.089	-0.307	0.000
C7	1.078	0.538	-0.000
H8	1.062	1.184	0.891
H9	1.062	1.183	-0.892
C10	2.306	-0.351	0.000
H11	2.322	-0.989	0.889
H12	2.322	-0.991	-0.888
H13	3.212	0.267	-0.001

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0859	1.0842	1.3358	2.1265	2.3693	3.6322	3.9197	3.9194	4.7646	4.9119	4.9113	5.6973
H2	1.0859		1.8676	2.1177	3.0976	2.6508	4.0708	4.4882	4.4874	4.9287	4.9331	4.9320	5.9574
H3	1.0842	1.8676		2.0955	2.4496	3.3429	4.4655	4.6201	4.6200	5.7209	5.9086	5.9082	6.5918
C4	1.3358	2.1177	2.0955		1.0925	1.3646	2.3712	2.6465	2.6466	3.6592	3.9490	3.9489	4.4982
H5	2.1265	3.0976	2.4496	1.0925		2.0822	2.4707	2.4652	2.4662	3.9568	4.3876	4.3880	4.5869
O6	2.3693	2.6508	3.3429	1.3646	2.0822		1.4410	2.0840	2.0840	2.3954	2.6585	2.6582	3.3502
C7	3.6322	4.0708	4.4655	2.3712	2.4707	1.4410		1.1010	1.1010	1.5161	2.1615	2.1614	2.1511
H8	3.9197	4.4882	4.6201	2.6465	2.4652	2.0840	1.1010		1.7834	2.1675	2.5124	3.0792	2.5018
H9	3.9194	4.4874	4.6200	2.6466	2.4662	2.0840	1.1010	1.7834		2.1675	3.0793	2.5125	2.5016
C10	4.7646	4.9287	5.7209	3.6592	3.9568	2.3954	1.5161	2.1675	2.1675		1.0947	1.0947	1.0960
H11	4.9119	4.9331	5.9086	3.9490	4.3876	2.6585	2.1615	2.5124	3.0793	1.0947		1.7772	1.7778
H12	4.9113	4.9320	5.9082	3.9489	4.3880	2.6582	2.1614	3.0792	2.5125	1.0947	1.7772		1.7778
H13	5.6973	5.9574	6.5918	4.4982	4.5869	3.3502	2.1511	2.5018	2.5016	1.0960	1.7778	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.939	C1	C4	O6	122.646
H2	C1	H3	118.766	H2	C1	C4	121.620
H3	C1	C4	119.614	C4	O6	C7	115.352
H5	C4	O6	115.415	O6	C7	H8	109.407
O6	C7	H9	109.408	O6	C7	C10	108.176
C7	C10	H11	110.728	C7	C10	H12	110.725
C7	C10	H13	109.828	H8	C7	H9	108.173
H8	C7	C10	110.830	H9	C7	C10	110.830
H11	C10	H12	108.524	H11	C10	H13	108.485
H12	C10	H13	108.485

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

using model chemistry: B97D3/TZVP

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	-0.261
2	H	0.107
3	H	0.109
4	C	-0.011
5	H	0.070
6	O	-0.182
7	C	-0.070
8	H	0.100
9	H	0.100
10	C	-0.300
11	H	0.118
12	H	0.118
13	H	0.104

	x	y	z	Total
	1.267	1.350	-0.001	1.852
CHELPG
AIM
ESP

	x	y	z
x	11.507	0.857	0.000
y	0.857	7.476	0.000
z	0.000	0.000	6.194

<r²>	163.901
(<r²>)^1/2	12.802

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

using model chemistry: B97D3/TZVP

States and conformations

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