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	hartrees
Energy at 0K	-232.399218
Energy at 298.15K	-232.407577
Nuclear repulsion energy	174.034969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3302	3164	4.94
2	A	3198	3064	0.07
3	A	3167	3035	17.07
4	A	3161	3029	24.85
5	A	3157	3025	20.64
6	A	3073	2945	35.33
7	A	3070	2942	16.17
8	A	3027	2901	56.15
9	A	1727	1655	192.53
10	A	1502	1440	5.64
11	A	1479	1418	1.94
12	A	1462	1401	6.53
13	A	1436	1376	2.96
14	A	1408	1349	67.21
15	A	1374	1317	20.26
16	A	1339	1284	5.70
17	A	1297	1243	0.64
18	A	1237	1185	256.11
19	A	1172	1123	4.09
20	A	1160	1112	130.26
21	A	1109	1062	10.17
22	A	994	952	6.85
23	A	976	936	22.66
24	A	863	827	56.89
25	A	862	826	4.26
26	A	818	784	1.89
27	A	707	677	7.29
28	A	499	478	2.73
29	A	438	419	1.39
30	A	246	236	0.38
31	A	210	201	0.21
32	A	93	89	2.76
33	A	43	41	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-2.445	-0.292	0.001
H2	-2.506	-1.378	0.004
H3	-3.365	0.285	-0.001
C4	-1.273	0.346	-0.002
H5	-1.213	1.437	-0.005
O6	-0.085	-0.304	-0.001
C7	1.067	0.533	0.002
H8	1.049	1.176	0.896
H9	1.049	1.183	-0.887
C10	2.293	-0.348	-0.001
H11	2.310	-0.992	0.886
H12	2.311	-0.985	-0.893
H13	3.198	0.272	0.002

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0877	1.0859	1.3339	2.1230	2.3598	3.6080	3.8943	3.8952	4.7388	4.8878	4.8888	5.6711
H2	1.0877		1.8718	2.1187	3.0977	2.6479	4.0521	4.4672	4.4709	4.9085	4.9119	4.9155	5.9377
H3	1.0859	1.8718		2.0927	2.4408	3.3324	4.4394	4.5916	4.5910	5.6938	5.8848	5.8845	6.5630
C4	1.3339	2.1187	2.0927		1.0935	1.3541	2.3482	2.6247	2.6228	3.6334	3.9269	3.9258	4.4717
H5	2.1230	3.0977	2.4408	1.0935		2.0752	2.4535	2.4491	2.4418	3.9350	4.3718	4.3678	4.5624
O6	2.3598	2.6479	3.3324	1.3541	2.0752		1.4248	2.0698	2.0698	2.3790	2.6457	2.6459	3.3334
C7	3.6080	4.0521	4.4394	2.3482	2.4535	1.4248		1.1017	1.1017	1.5096	2.1568	2.1568	2.1463
H8	3.8943	4.4672	4.5916	2.6247	2.4491	2.0698	1.1017		1.7838	2.1626	2.5083	3.0765	2.4970
H9	3.8952	4.4709	4.5910	2.6228	2.4418	2.0698	1.1017	1.7838		2.1626	3.0765	2.5082	2.4972
C10	4.7388	4.9085	5.6938	3.6334	3.9350	2.3790	1.5096	2.1626	2.1626		1.0962	1.0962	1.0968
H11	4.8878	4.9119	5.8848	3.9269	4.3718	2.6457	2.1568	2.5083	3.0765	1.0962		1.7792	1.7798
H12	4.8888	4.9155	5.8845	3.9258	4.3678	2.6459	2.1568	3.0765	2.5082	1.0962	1.7792		1.7798
H13	5.6711	5.9377	6.5630	4.4717	4.5624	3.3334	2.1463	2.4970	2.4972	1.0968	1.7798	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.681	C1	C4	O6	122.779
H2	C1	H3	118.886	H2	C1	C4	121.744
H3	C1	C4	119.370	C4	O6	C7	115.321
H5	C4	O6	115.540	O6	C7	H8	109.353
O6	C7	H9	109.353	O6	C7	C10	108.302
C7	C10	H11	110.720	C7	C10	H12	110.722
C7	C10	H13	109.853	H8	C7	H9	108.106
H8	C7	C10	110.854	H9	C7	C10	110.854
H11	C10	H12	108.493	H11	C10	H13	108.493
H12	C10	H13	108.495

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	0.538
2	H	-0.479
3	H	-0.332
4	C	1.043
5	H	-0.573
6	O	-0.645
7	C	0.951
8	H	-0.269
9	H	-0.270
10	C	0.285
11	H	-0.089
12	H	-0.090
13	H	-0.072

	x	y	z	Total
	1.267	1.251	0.001	1.780
CHELPG
AIM
ESP

	x	y	z
x	11.760	0.723	-0.001
y	0.723	7.920	-0.001
z	-0.001	-0.001	6.922

<r²>	162.322
(<r²>)^1/2	12.741

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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