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	hartrees
Energy at 0K	-232.304496
Energy at 298.15K
HF Energy	-232.304496
Nuclear repulsion energy	172.761430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3225	3169	9.40
2	A	3130	3076	0.40
3	A	3087	3034	31.68
4	A	3085	3032	31.01
5	A	3079	3026	25.80
6	A	3000	2948	23.01
7	A	2987	2936	49.21
8	A	2945	2895	69.37
9	A	1666	1637	166.25
10	A	1494	1468	6.69
11	A	1478	1452	4.39
12	A	1461	1436	6.83
13	A	1417	1393	4.14
14	A	1392	1368	42.80
15	A	1364	1341	44.54
16	A	1320	1297	8.56
17	A	1276	1254	0.38
18	A	1193	1173	230.79
19	A	1152	1132	4.36
20	A	1115	1095	122.42
21	A	1061	1043	65.33
22	A	966	949	6.06
23	A	935	919	30.21
24	A	831	817	6.05
25	A	809	795	0.00
26	A	792	779	62.13
27	A	674	662	9.55
28	A	487	479	3.71
29	A	430	422	1.51
30	A	243	239	0.40
31	A	204	200	0.29
32	A	84	82	3.36
33	A	35i	35i	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-2.464	-0.296	0.000
H2	-2.518	-1.383	0.000
H3	-3.389	0.275	0.000
C4	-1.287	0.352	-0.000
H5	-1.224	1.445	-0.000
O6	-0.088	-0.305	-0.000
C7	1.081	0.540	0.000
H8	1.062	1.186	0.895
H9	1.062	1.187	-0.894
C10	2.311	-0.353	-0.000
H11	2.324	-0.995	0.891
H12	2.324	-0.994	-0.891
H13	3.219	0.264	0.000

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0884	1.0868	1.3435	2.1372	2.3765	3.6421	3.9285	3.9286	4.7753	4.9203	4.9203	5.7112
H2	1.0884		1.8729	2.1267	3.1094	2.6579	4.0798	4.4961	4.4964	4.9367	4.9380	4.9381	5.9686
H3	1.0868	1.8729		2.1037	2.4613	3.3522	4.4779	4.6312	4.6313	5.7345	5.9201	5.9200	6.6088
C4	1.3435	2.1267	2.1037		1.0947	1.3676	2.3752	2.6489	2.6488	3.6662	3.9556	3.9554	4.5074
H5	2.1372	3.1094	2.4613	1.0947		2.0866	2.4757	2.4688	2.4683	3.9657	4.3969	4.3966	4.5976
O6	2.3765	2.6579	3.3522	1.3676	2.0866		1.4423	2.0852	2.0852	2.3989	2.6618	2.6617	3.3558
C7	3.6421	4.0798	4.4779	2.3752	2.4757	1.4423		1.1036	1.1036	1.5203	2.1667	2.1667	2.1566
H8	3.9285	4.4961	4.6312	2.6489	2.4688	2.0852	1.1036		1.7887	2.1746	2.5195	3.0878	2.5108
H9	3.9286	4.4964	4.6313	2.6488	2.4683	2.0852	1.1036	1.7887		2.1746	3.0878	2.5196	2.5107
C10	4.7753	4.9367	5.7345	3.6662	3.9657	2.3989	1.5203	2.1746	2.1746		1.0975	1.0975	1.0986
H11	4.9203	4.9380	5.9201	3.9556	4.3969	2.6618	2.1667	2.5195	3.0878	1.0975		1.7813	1.7829
H12	4.9203	4.9381	5.9200	3.9554	4.3966	2.6617	2.1667	3.0878	2.5196	1.0975	1.7813		1.7829
H13	5.7112	5.9686	6.6088	4.5074	4.5976	3.3558	2.1566	2.5108	2.5107	1.0986	1.7829	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	122.195	C1	C4	O6	122.552
H2	C1	H3	118.720	H2	C1	C4	121.519
H3	C1	C4	119.757	C4	O6	C7	115.858
H5	C4	O6	115.242	O6	C7	H8	109.243
O6	C7	H9	109.332	O6	C7	C10	108.525
C7	C10	H11	110.547	C7	C10	H12	110.560
C7	C10	H13	110.231	H8	C7	H9	107.923
H8	C7	C10	110.919	H9	C7	C10	110.874
H11	C10	H12	108.407	H11	C10	H13	108.480
H12	C10	H13	108.550

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

using model chemistry: B97D3/6-31+G**

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	-0.353
2	H	0.148
3	H	0.140
4	C	0.079
5	H	0.122
6	O	-0.285
7	C	-0.011
8	H	0.142
9	H	0.142
10	C	-0.623
11	H	0.173
12	H	0.173
13	H	0.155

	x	y	z	Total
	1.328	1.379	0.000	1.914
CHELPG
AIM
ESP

	x	y	z
x	11.598	0.885	-0.000
y	0.885	7.590	-0.000
z	-0.000	-0.000	6.525

<r²>	164.647
(<r²>)^1/2	12.831

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

using model chemistry: B97D3/6-31+G**

States and conformations

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