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	hartrees
Energy at 0K	-231.051387
Energy at 298.15K	-231.059999
HF Energy	-231.051387
Nuclear repulsion energy	175.679062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3396	3078	10.28
2	A	3310	3000	2.71
3	A	3291	2983	15.22
4	A	3243	2940	48.21
5	A	3233	2931	43.10
6	A	3173	2876	41.80
7	A	3171	2875	24.14
8	A	3143	2849	55.67
9	A	1850	1677	217.17
10	A	1651	1496	6.89
11	A	1617	1466	2.18
12	A	1599	1450	4.96
13	A	1576	1428	11.77
14	A	1549	1404	67.11
15	A	1520	1377	30.65
16	A	1454	1318	11.22
17	A	1417	1284	1.60
18	A	1325	1201	260.09
19	A	1287	1166	10.77
20	A	1265	1147	203.65
21	A	1181	1070	12.96
22	A	1096	994	16.74
23	A	1059	960	8.23
24	A	984	892	77.40
25	A	934	846	7.29
26	A	881	798	0.43
27	A	780	707	5.20
28	A	535	485	3.00
29	A	467	424	1.07
30	A	273	247	0.67
31	A	224	203	0.30
32	A	96	87	3.57
33	A	24	22	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	-2.416	-0.295	0.037
H2	-2.452	-1.361	0.138
H3	-3.334	0.254	0.006
C4	-1.276	0.341	-0.057
H5	-1.231	1.410	-0.155
O6	-0.088	-0.290	-0.048
C7	1.054	0.528	0.077
H8	1.017	1.043	1.030
H9	1.043	1.274	-0.710
C10	2.284	-0.344	-0.021
H11	2.285	-1.088	0.764
H12	2.313	-0.853	-0.975
H13	3.180	0.258	0.075

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0715	1.0702	1.3091	2.0849	2.3296	3.5659	3.8163	3.8708	4.7007	4.8218	4.8674	5.6233
H2	1.0715		1.8454	2.0784	3.0421	2.6020	3.9823	4.3139	4.4583	4.8467	4.7851	4.9188	5.8603
H3	1.0702	1.8454		2.0607	2.4044	3.2916	4.3964	4.5389	4.5505	5.6498	5.8258	5.8368	6.5141
C4	1.3091	2.0784	2.0607		1.0738	1.3453	2.3407	2.6329	2.5832	3.6256	3.9233	3.8917	4.4586
H5	2.0849	3.0421	2.4044	1.0738		2.0514	2.4603	2.5683	2.3449	3.9310	4.4097	4.2840	4.5652
O6	2.3296	2.6020	3.2916	1.3453	2.0514		1.4095	2.0396	2.0403	2.3728	2.6312	2.6341	3.3158
C7	3.5659	3.9823	4.3964	2.3407	2.4603	1.4095		1.0846	1.0847	1.5111	2.1442	2.1442	2.1435
H8	3.8163	4.3139	4.5389	2.6329	2.5683	2.0396	1.0846		1.7560	2.1528	2.4939	3.0488	2.4913
H9	3.8708	4.4583	4.5505	2.5832	2.3449	2.0403	1.0847	1.7560		2.1524	3.0485	2.4915	2.4933
C10	4.7007	4.8467	5.6498	3.6256	3.9310	2.3728	1.5111	2.1528	2.1524		1.0817	1.0817	1.0834
H11	4.8218	4.7851	5.8258	3.9233	4.4097	2.6312	2.1442	2.4939	3.0485	1.0817		1.7545	1.7573
H12	4.8674	4.9188	5.8368	3.8917	4.2840	2.6341	2.1442	3.0488	2.4915	1.0817	1.7545		1.7581
H13	5.6233	5.8603	6.5141	4.4586	4.5652	3.3158	2.1435	2.4913	2.4933	1.0834	1.7573	1.7581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.763	C1	C4	O6	122.708
H2	C1	H3	119.003	H2	C1	C4	121.316
H3	C1	C4	119.680	C4	O6	C7	116.331
H5	C4	O6	115.527	O6	C7	H8	109.035
O6	C7	H9	109.086	O6	C7	C10	108.625
C7	C10	H11	110.487	C7	C10	H12	110.488
C7	C10	H13	110.327	H8	C7	H9	108.092
H8	C7	C10	111.001	H9	C7	C10	110.966
H11	C10	H12	108.385	H11	C10	H13	108.512
H12	C10	H13	108.578

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

using model chemistry: HF/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	-0.211
2	H	0.066
3	H	0.071
4	C	0.147
5	H	0.054
6	O	-0.360
7	C	0.148
8	H	0.040
9	H	0.035
10	C	-0.161
11	H	0.062
12	H	0.061
13	H	0.047

	x	y	z	Total
	1.121	1.404	0.065	1.798
CHELPG
AIM
ESP

	x	y	z
x	10.346	0.897	-0.070
y	0.897	7.068	-0.050
z	-0.070	-0.050	6.045

<r²>	160.105
(<r²>)^1/2	12.653

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

using model chemistry: HF/Def2TZVPP

States and conformations

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