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	hartrees
Energy at 0K	-232.245109
Energy at 298.15K	-232.253420
Nuclear repulsion energy	172.755314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3316	3162	9.57
2	A	3218	3069	0.49
3	A	3179	3032	25.76
4	A	3169	3022	36.22
5	A	3168	3021	11.37
6	A	3084	2941	44.53
7	A	3080	2937	15.91
8	A	3032	2892	46.41
9	A	1748	1667	131.11
10	A	1560	1488	6.01
11	A	1544	1472	7.90
12	A	1526	1455	8.02
13	A	1470	1402	0.75
14	A	1457	1389	20.46
15	A	1415	1350	53.28
16	A	1363	1300	1.76
17	A	1311	1250	0.29
18	A	1217	1161	161.44
19	A	1186	1131	44.19
20	A	1157	1104	88.42
21	A	1103	1052	58.19
22	A	1008	961	15.98
23	A	1001	955	19.55
24	A	905	863	77.04
25	A	849	810	2.37
26	A	837	798	3.72
27	A	709	676	2.38
28	A	491	468	2.09
29	A	429	409	3.18
30	A	248	237	0.91
31	A	202	193	0.68
32	A	80	76	5.52
33	A	42	40	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	-2.458	-0.292	0.035
H2	-2.488	-1.357	0.225
H3	-3.395	0.238	-0.065
C4	-1.300	0.354	-0.087
H5	-1.239	1.424	-0.275
O6	-0.084	-0.301	-0.016
C7	1.095	0.538	0.129
H8	1.092	0.998	1.124
H9	1.065	1.339	-0.621
C10	2.301	-0.351	-0.064
H11	2.302	-1.154	0.676
H12	2.286	-0.801	-1.058
H13	3.223	0.226	0.047

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0822	1.0813	1.3314	2.1280	2.3743	3.6493	3.9313	3.9370	4.7603	4.8794	4.8952	5.7046
H2	1.0822		1.8577	2.1063	3.0899	2.6370	4.0543	4.3793	4.5398	4.9025	4.8157	4.9753	5.9295
H3	1.0813	1.8577		2.0978	2.4694	3.3545	4.5034	4.7036	4.6268	5.7261	5.9109	5.8602	6.6187
C4	1.3314	2.1063	2.0978		1.0886	1.3829	2.4115	2.7581	2.6169	3.6696	3.9788	3.8910	4.5270
H5	2.1280	3.0899	2.4694	1.0886		2.0921	2.5286	2.7521	2.3309	3.9656	4.4821	4.2418	4.6312
O6	2.3743	2.6370	3.3545	1.3829	2.0921		1.4539	2.0910	2.0918	2.3862	2.6267	2.6374	3.3496
C7	3.6493	4.0543	4.5034	2.4115	2.5286	1.4539		1.0964	1.0979	1.5108	2.1492	2.1502	2.1528
H8	3.9313	4.3793	4.7036	2.7581	2.7521	2.0910	1.0964		1.7781	2.1661	2.5093	3.0703	2.5093
H9	3.9370	4.5398	4.6268	2.6169	2.3309	2.0918	1.0979	1.7781		2.1667	3.0705	2.5031	2.5185
C10	4.7603	4.9025	5.7261	3.6696	3.9656	2.3862	1.5108	2.1661	2.1667		1.0918	1.0919	1.0933
H11	4.8794	4.8157	5.9109	3.9788	4.4821	2.6267	2.1492	2.5093	3.0705	1.0918		1.7696	1.7746
H12	4.8952	4.9753	5.8602	3.8910	4.2418	2.6374	2.1502	3.0703	2.5031	1.0919	1.7696		1.7760
H13	5.7046	5.9295	6.6187	4.5270	4.6312	3.3496	2.1528	2.5093	2.5185	1.0933	1.7746	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	122.816	C1	C4	O6	122.020
H2	C1	H3	118.339	H2	C1	C4	121.205
H3	C1	C4	120.453	C4	O6	C7	116.418
H5	C4	O6	115.146	O6	C7	H8	109.349
O6	C7	H9	109.322	O6	C7	C10	107.181
C7	C10	H11	110.297	C7	C10	H12	110.378
C7	C10	H13	110.503	H8	C7	H9	108.252
H8	C7	C10	111.373	H9	C7	C10	111.335
H11	C10	H12	108.263	H11	C10	H13	108.609
H12	C10	H13	108.731

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

using model chemistry: B1B95/6-31G

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	-0.368
2	H	0.156
3	H	0.144
4	C	0.157
5	H	0.143
6	O	-0.536
7	C	-0.058
8	H	0.163
9	H	0.153
10	C	-0.463
11	H	0.179
12	H	0.176
13	H	0.154

	x	y	z	Total
	1.051	1.625	0.065	1.936
CHELPG
AIM
ESP

	x	y	z
x	10.075	0.824	-0.030
y	0.824	6.318	-0.294
z	-0.030	-0.294	4.394

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/6-31G

States and conformations

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