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	hartrees
Energy at 0K	-283.248740
Energy at 298.15K	-283.256870
HF Energy	-283.248740
Nuclear repulsion energy	215.988373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3281	2971	24.56
2	A'	3217	2913	14.48
3	A'	3200	2898	25.02
4	A'	3185	2884	28.74
5	A'	2606	2360	0.20
6	A'	1704	1544	3.96
7	A'	1685	1526	1.96
8	A'	1672	1514	6.47
9	A'	1589	1439	2.61
10	A'	1576	1427	9.18
11	A'	1515	1372	72.38
12	A'	1254	1136	96.88
13	A'	1218	1103	117.83
14	A'	1069	968	6.48
15	A'	1021	924	34.96
16	A'	949	860	1.76
17	A'	639	579	1.10
18	A'	435	394	2.09
19	A'	329	298	2.26
20	A'	141	127	2.41
21	A"	3295	2984	26.84
22	A"	3232	2927	25.10
23	A"	3217	2913	41.67
24	A"	1655	1499	5.82
25	A"	1432	1297	0.60
26	A"	1404	1271	0.87
27	A"	1293	1171	11.49
28	A"	1155	1046	2.76
29	A"	920	833	0.97
30	A"	490	444	0.47
31	A"	253	229	1.08
32	A"	112	101	11.37
33	A"	78	71	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	-0.570	2.632	0.000
C2	-1.137	1.217	0.000
O3	0.000	0.326	0.000
C4	-0.331	-1.064	0.000
C5	0.922	-1.813	0.000
N6	1.899	-2.396	0.000
H7	-1.370	3.363	0.000
H8	0.045	2.776	0.878
H9	0.045	2.776	-0.878
H10	-1.746	1.041	-0.880
H11	-1.746	1.041	0.880
H12	-0.907	-1.334	-0.879
H13	-0.907	-1.334	0.879

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5240	2.3759	3.7035	4.6890	5.6014	1.0833	1.0817	1.0817	2.1656	2.1656	4.0765	4.0765
C2	1.5240		1.4450	2.4191	3.6636	4.7192	2.1585	2.1442	2.1442	1.0851	1.0851	2.7086	2.7086
O3	2.3759	1.4450		1.4283	2.3290	3.3184	3.3322	2.6035	2.6035	2.0824	2.0824	2.0856	2.0856
C4	3.7035	2.4191	1.4283		1.4601	2.5977	4.5471	3.9569	3.9569	2.6845	2.6845	1.0846	1.0846
C5	4.6890	3.6636	2.3290	1.4601		1.1377	5.6609	4.7543	4.7543	4.0049	4.0049	2.0841	2.0841
N6	5.6014	4.7192	3.3184	2.5977	1.1377		6.6219	5.5640	5.5640	5.0865	5.0865	3.1255	3.1255
H7	1.0833	2.1585	3.3322	4.5471	5.6609	6.6219		1.7652	1.7652	2.5120	2.5120	4.8015	4.8015
H8	1.0817	2.1442	2.6035	3.9569	4.7543	5.5640	1.7652		1.7560	3.0514	2.4938	4.5704	4.2192
H9	1.0817	2.1442	2.6035	3.9569	4.7543	5.5640	1.7652	1.7560		2.4938	3.0514	4.2192	4.5704
H10	2.1656	1.0851	2.0824	2.6845	4.0049	5.0865	2.5120	3.0514	2.4938		1.7608	2.5194	3.0728
H11	2.1656	1.0851	2.0824	2.6845	4.0049	5.0865	2.5120	2.4938	3.0514	1.7608		3.0728	2.5194
H12	4.0765	2.7086	2.0856	1.0846	2.0841	3.1255	4.8015	4.5704	4.2192	2.5194	3.0728		1.7575
H13	4.0765	2.7086	2.0856	1.0846	2.0841	3.1255	4.8015	4.2192	4.5704	3.0728	2.5194	1.7575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.273	C1	C2	H10	111.081
C1	C2	H11	111.081	C2	C1	H7	110.622
C2	C1	H8	109.582	C2	C1	H9	109.582
C2	O3	C4	114.683	O3	C2	H10	109.970
O3	C2	H11	109.970	O3	C4	C5	107.470
O3	C4	H12	111.459	O3	C4	H13	111.459
C4	C5	N6	179.913	C5	C4	H12	109.084
C5	C4	H13	109.084	H7	C1	H8	109.245
H7	C1	H9	109.245	H8	C1	H9	108.529
H10	C2	H11	108.458	H12	C4	H13	108.239

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: HF/3-21G

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: HF/3-21G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)