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	hartrees
Energy at 0K	-286.543998
Energy at 298.15K	-286.551625
HF Energy	-286.543998
Nuclear repulsion energy	214.090198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3032	3025	30.43
2	A'	2971	2963	18.80
3	A'	2891	2884	86.54
4	A'	2881	2873	15.94
5	A'	2270	2265	0.12
6	A'	1505	1501	3.54
7	A'	1482	1478	1.67
8	A'	1471	1468	7.73
9	A'	1413	1410	8.64
10	A'	1384	1380	8.71
11	A'	1350	1346	54.81
12	A'	1116	1113	23.21
13	A'	1056	1053	199.60
14	A'	987	985	16.35
15	A'	926	924	9.31
16	A'	861	858	9.97
17	A'	540	539	1.01
18	A'	407	406	1.13
19	A'	292	292	1.57
20	A'	129	129	2.95
21	A"	3039	3031	34.06
22	A"	2911	2904	42.40
23	A"	2898	2891	61.56
24	A"	1464	1460	7.86
25	A"	1273	1270	2.05
26	A"	1227	1224	3.40
27	A"	1157	1154	6.58
28	A"	1009	1006	1.26
29	A"	814	812	0.49
30	A"	366	365	0.97
31	A"	239	238	0.37
32	A"	112	112	6.07
33	A"	74	74	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.992	2.550	0.000
C2	-1.271	1.050	0.000
O3	0.000	0.363	0.000
C4	-0.159	-1.056	0.000
C5	1.168	-1.691	0.000
N6	2.206	-2.217	0.000
H7	-1.937	3.113	0.000
H8	-0.417	2.837	0.890
H9	-0.417	2.837	-0.890
H10	-1.855	0.754	-0.894
H11	-1.855	0.754	0.894
H12	-0.719	-1.402	-0.892
H13	-0.719	-1.402	0.892

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5255	2.4019	3.7007	4.7594	5.7404	1.0999	1.0986	1.0986	2.1832	2.1832	4.0604	4.0604
C2	1.5255		1.4449	2.3814	3.6690	4.7709	2.1680	2.1717	2.1717	1.1077	1.1077	2.6669	2.6669
O3	2.4019	1.4449		1.4271	2.3625	3.3941	3.3642	2.6627	2.6627	2.0957	2.0957	2.1037	2.1037
C4	3.7007	2.3814	1.4271		1.4710	2.6343	4.5323	4.0016	4.0016	2.6365	2.6365	1.1087	1.1087
C5	4.7594	3.6690	2.3625	1.4710		1.1635	5.7202	4.8793	4.8793	3.9893	3.9893	2.1068	2.1068
N6	5.7404	4.7709	3.3941	2.6343	1.1635		6.7509	5.7632	5.7632	5.1103	5.1103	3.1643	3.1643
H7	1.0999	2.1680	3.3642	4.5323	5.7202	6.7509		1.7835	1.7835	2.5238	2.5238	4.7608	4.7608
H8	1.0986	2.1717	2.6627	4.0016	4.8793	5.7632	1.7835		1.7807	3.0966	2.5310	4.6084	4.2497
H9	1.0986	2.1717	2.6627	4.0016	4.8793	5.7632	1.7835	1.7807		2.5310	3.0966	4.2497	4.6084
H10	2.1832	1.1077	2.0957	2.6365	3.9893	5.1103	2.5238	3.0966	2.5310		1.7876	2.4371	3.0214
H11	2.1832	1.1077	2.0957	2.6365	3.9893	5.1103	2.5238	2.5310	3.0966	1.7876		3.0214	2.4371
H12	4.0604	2.6669	2.1037	1.1087	2.1068	3.1643	4.7608	4.6084	4.2497	2.4371	3.0214		1.7843
H13	4.0604	2.6669	2.1037	1.1087	2.1068	3.1643	4.7608	4.2497	4.6084	3.0214	2.4371	1.7843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.889	C1	C2	H10	111.017
C1	C2	H11	111.017	C2	C1	H7	110.285
C2	C1	H8	110.657	C2	C1	H9	110.657
C2	O3	C4	112.024	O3	C2	H10	109.663
O3	C2	H11	109.663	O3	C4	C5	109.205
O3	C4	H12	111.497	O3	C4	H13	111.497
C4	C5	N6	178.712	C5	C4	H12	108.699
C5	C4	H13	108.699	H7	C1	H8	108.441
H7	C1	H9	108.441	H8	C1	H9	108.284
H10	C2	H11	107.588	H12	C4	H13	107.157

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: BLYP/6-311G*

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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All results from a given calculation for C4H7NO (Ethoxyacetonitrile)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)