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	hartrees
Energy at 0K	-284.666918
Energy at 298.15K	-284.674821
HF Energy	-284.666918
Nuclear repulsion energy	214.691426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3043	13.56
2	A'	3087	2965	8.14
3	A'	3016	2897	45.65
4	A'	3010	2891	9.93
5	A'	2389	2294	0.10
6	A'	1586	1523	5.20
7	A'	1566	1504	3.22
8	A'	1558	1496	10.27
9	A'	1464	1406	6.24
10	A'	1457	1400	13.04
11	A'	1385	1330	44.89
12	A'	1167	1120	57.06
13	A'	1117	1073	109.80
14	A'	1031	990	7.62
15	A'	972	933	10.85
16	A'	900	864	5.47
17	A'	600	577	0.72
18	A'	416	400	1.55
19	A'	310	298	1.87
20	A'	132	127	2.05
21	A"	3175	3049	14.91
22	A"	3052	2931	36.45
23	A"	3038	2918	31.80
24	A"	1545	1483	9.13
25	A"	1325	1273	0.04
26	A"	1283	1232	0.81
27	A"	1195	1148	8.99
28	A"	1061	1019	0.37
29	A"	867	833	2.67
30	A"	467	448	0.06
31	A"	236	227	0.58
32	A"	115	111	7.57
33	A"	77	74	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	-0.988	2.521	0.000
C2	-1.294	1.032	0.000
O3	0.000	0.360	0.000
C4	-0.163	-1.076	0.000
C5	1.164	-1.671	0.000
N6	2.225	-2.145	0.000
H7	-1.915	3.104	0.000
H8	-0.402	2.775	0.888
H9	-0.402	2.775	-0.888
H10	-1.874	0.747	-0.892
H11	-1.874	0.747	0.892
H12	-0.714	-1.425	-0.889
H13	-0.714	-1.425	0.889

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5203	2.3764	3.6905	4.7128	5.6653	1.0947	1.0938	1.0938	2.1740	2.1740	4.0541	4.0541
C2	1.5203		1.4578	2.3918	3.6537	4.7406	2.1634	2.1497	2.1497	1.1014	1.1014	2.6760	2.6760
O3	2.3764	1.4578		1.4452	2.3414	3.3503	3.3462	2.6041	2.6041	2.1109	2.1109	2.1179	2.1179
C4	3.6905	2.3918	1.4452		1.4551	2.6169	4.5322	3.9590	3.9590	2.6543	2.6543	1.1025	1.1025
C5	4.7128	3.6537	2.3414	1.4551		1.1618	5.6821	4.7968	4.7968	3.9843	3.9843	2.0929	2.0929
N6	5.6653	4.7406	3.3503	2.6169	1.1618		6.6850	5.6471	5.6471	5.0952	5.0952	3.1544	3.1544
H7	1.0947	2.1634	3.3462	4.5322	5.6821	6.6850		1.7848	1.7848	2.5204	2.5204	4.7690	4.7690
H8	1.0938	2.1497	2.6041	3.9590	4.7968	5.6471	1.7848		1.7761	3.0732	2.5052	4.5707	4.2110
H9	1.0938	2.1497	2.6041	3.9590	4.7968	5.6471	1.7848	1.7761		2.5052	3.0732	4.2110	4.5707
H10	2.1740	1.1014	2.1109	2.6543	3.9843	5.0952	2.5204	3.0732	2.5052		1.7842	2.4621	3.0389
H11	2.1740	1.1014	2.1109	2.6543	3.9843	5.0952	2.5204	2.5052	3.0732	1.7842		3.0389	2.4621
H12	4.0541	2.6760	2.1179	1.1025	2.0929	3.1544	4.7690	4.5707	4.2110	2.4621	3.0389		1.7782
H13	4.0541	2.6760	2.1179	1.1025	2.0929	3.1544	4.7690	4.2110	4.5707	3.0389	2.4621	1.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.853	C1	C2	H10	111.031
C1	C2	H11	111.031	C2	C1	H7	110.583
C2	C1	H8	109.558	C2	C1	H9	109.558
C2	O3	C4	110.959	O3	C2	H10	110.376
O3	C2	H11	110.376	O3	C4	C5	107.666
O3	C4	H12	111.763	O3	C4	H13	111.763
C4	C5	N6	179.869	C5	C4	H12	109.052
C5	C4	H13	109.052	H7	C1	H8	109.278
H7	C1	H9	109.278	H8	C1	H9	108.554
H10	C2	H11	108.186	H12	C4	H13	107.496

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: PBE1PBE/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: PBE1PBE/3-21G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)