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	hartrees
Energy at 0K	-232.154607
Energy at 298.15K	-232.162976
HF Energy	-231.925574
Nuclear repulsion energy	173.823329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3314	3146	7.65
2	A	3223	3059	0.27
3	A	3182	3020	25.52
4	A	3175	3014	28.11
5	A	3172	3011	20.40
6	A	3095	2938	14.89
7	A	3086	2929	47.69
8	A	3044	2889	50.13
9	A	1740	1652	132.34
10	A	1574	1494	7.71
11	A	1551	1472	3.47
12	A	1535	1457	4.91
13	A	1481	1406	8.01
14	A	1460	1386	37.91
15	A	1428	1356	57.99
16	A	1368	1299	4.24
17	A	1327	1260	0.35
18	A	1245	1182	189.56
19	A	1208	1147	29.19
20	A	1174	1115	114.45
21	A	1112	1056	28.65
22	A	1005	954	8.32
23	A	988	938	18.94
24	A	872	828	6.13
25	A	838	795	0.80
26	A	830	788	52.10
27	A	716	679	2.17
28	A	501	475	2.49
29	A	442	419	1.68
30	A	264	251	0.70
31	A	214	203	0.54
32	A	84	80	3.53
33	A	51	48	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	-2.364	-0.317	0.202
H2	-2.289	-1.349	0.429
H3	-3.299	0.173	0.294
C4	-1.283	0.360	-0.204
H5	-1.343	1.400	-0.424
O6	-0.079	-0.241	-0.382
C7	0.993	0.446	0.280
H8	0.795	0.468	1.356
H9	1.059	1.477	-0.085
C10	2.298	-0.293	0.002
H11	2.222	-1.322	0.358
H12	2.504	-0.301	-1.069
H13	3.123	0.202	0.520

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0600	1.0595	1.3386	2.0932	2.3594	3.4432	3.4535	3.8752	4.6666	4.6979	5.0307	5.5204
H2	1.0600		1.8317	2.0823	3.0302	2.6017	3.7438	3.6977	4.4116	4.7268	4.5123	5.1295	5.6306
H3	1.0595	1.8317		2.0851	2.4181	3.3160	4.3004	4.2396	4.5650	5.6242	5.7206	5.9793	6.4259
C4	1.3386	2.0823	2.0851		1.0645	1.3576	2.3283	2.6008	2.5974	3.6462	3.9287	3.9399	4.4677
H5	2.0932	3.0302	2.4181	1.0645		2.0723	2.6195	2.9339	2.4273	4.0383	4.5535	4.2553	4.7192
O6	2.3594	2.6017	3.3160	1.3576	2.0723		1.4351	2.0706	2.0821	2.4087	2.6480	2.6732	3.3558
C7	3.4432	3.7438	4.3004	2.3283	2.6195	1.4351		1.0943	1.0955	1.5259	2.1550	2.1587	2.1574
H8	3.4535	3.6977	4.2396	2.6008	2.9339	2.0706	1.0943		1.7793	2.1620	2.4976	3.0645	2.4881
H9	3.8752	4.4116	4.5650	2.5974	2.4273	2.0821	1.0955	1.7793		2.1619	3.0627	2.4923	2.4998
C10	4.6666	4.7268	5.6242	3.6462	4.0383	2.4087	1.5259	2.1620	2.1619		1.0913	1.0899	1.0922
H11	4.6979	4.5123	5.7206	3.9287	4.5535	2.6480	2.1550	2.4976	3.0627	1.0913		1.7766	1.7771
H12	5.0307	5.1295	5.9793	3.9399	4.2553	2.6732	2.1587	3.0645	2.4923	1.0899	1.7766		1.7772
H13	5.5204	5.6306	6.4259	4.4677	4.7192	3.3558	2.1574	2.4881	2.4998	1.0922	1.7771	1.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	120.734	C1	C4	O6	122.113
H2	C1	H3	119.592	H2	C1	C4	120.048
H3	C1	C4	120.360	C4	O6	C7	112.935
H5	C4	O6	117.138	O6	C7	H8	109.148
O6	C7	H9	110.002	O6	C7	C10	108.833
C7	C10	H11	109.734	C7	C10	H12	110.116
C7	C10	H13	109.874	H8	C7	H9	108.695
H8	C7	C10	110.112	H9	C7	C10	110.039
H11	C10	H12	109.077	H11	C10	H13	108.949
H12	C10	H13	109.066

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

using model chemistry: B2PLYP/6-31G*

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	-0.427
2	H	0.164
3	H	0.155
4	C	0.192
5	H	0.144
6	O	-0.525
7	C	-0.016
8	H	0.147
9	H	0.142
10	C	-0.474
11	H	0.172
12	H	0.171
13	H	0.153

	x	y	z
x	9.865	0.749	-0.102
y	0.749	6.347	-0.256
z	-0.102	-0.256	4.559

<r²>	161.989
(<r²>)^1/2	12.727

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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