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	hartrees
Energy at 0K	-282.917528
Energy at 298.15K	-282.924886
HF Energy	-282.917528
Nuclear repulsion energy	210.228738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3487	3112	0.30
2	A'	3319	2962	0.27
3	A'	3242	2893	12.44
4	A'	3213	2868	7.30
5	A'	2382	2125	23.30
6	A'	1688	1507	2.55
7	A'	1668	1488	4.98
8	A'	1633	1457	1.94
9	A'	1567	1399	2.73
10	A'	1506	1344	10.30
11	A'	1427	1273	63.14
12	A'	1234	1101	15.32
13	A'	1170	1044	18.54
14	A'	1087	970	3.01
15	A'	987	881	2.32
16	A'	945	843	2.09
17	A'	548	489	0.15
18	A'	429	383	0.68
19	A'	300	268	1.13
20	A'	130	116	1.85
21	A"	3492	3116	0.56
22	A"	3342	2983	12.75
23	A"	3301	2946	4.10
24	A"	1669	1489	3.35
25	A"	1366	1219	0.12
26	A"	1273	1136	1.33
27	A"	1218	1087	7.78
28	A"	1051	938	0.31
29	A"	878	784	1.70
30	A"	367	328	0.66
31	A"	203	181	0.14
32	A"	122	109	4.07
33	A"	83	74	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-1.423	2.401	0.000
C2	-1.416	0.846	0.000
O3	0.000	0.416	0.000
C4	-0.013	-1.063	0.000
C5	1.417	-1.542	0.000
N6	2.550	-1.926	0.000
H7	-2.461	2.769	0.000
H8	-0.910	2.785	0.894
H9	-0.910	2.785	-0.894
H10	-1.949	0.459	-0.899
H11	-1.949	0.459	0.899
H12	-0.529	-1.478	-0.902
H13	-0.529	-1.478	0.902

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5545	2.4426	3.7397	4.8591	5.8744	1.1008	1.1003	1.1003	2.2038	2.2038	4.0819	4.0819
C2	1.5545		1.4801	2.3693	3.7052	4.8389	2.1877	2.1944	2.1944	1.1147	1.1147	2.6467	2.6467
O3	2.4426	1.4801		1.4784	2.4165	3.4621	3.4046	2.6913	2.6913	2.1466	2.1466	2.1634	2.1634
C4	3.7397	2.3693	1.4784		1.5078	2.7041	4.5465	4.0512	4.0512	2.6211	2.6211	1.1189	1.1189
C5	4.8591	3.7052	2.4165	1.5078		1.1964	5.7979	4.9939	4.9939	4.0171	4.0171	2.1451	2.1451
N6	5.8744	4.8389	3.4621	2.7041	1.1964		6.8663	5.9135	5.9135	5.1702	5.1702	3.2388	3.2388
H7	1.1008	2.1877	3.4046	4.5465	5.7979	6.8663		1.7901	1.7901	2.5311	2.5311	4.7521	4.7521
H8	1.1003	2.1944	2.6913	4.0512	4.9939	5.9135	1.7901		1.7884	3.1159	2.5480	4.6422	4.2808
H9	1.1003	2.1944	2.6913	4.0512	4.9939	5.9135	1.7901	1.7884		2.5480	3.1159	4.2808	4.6422
H10	2.2038	1.1147	2.1466	2.6211	4.0171	5.1702	2.5311	3.1159	2.5480		1.7985	2.4018	3.0019
H11	2.2038	1.1147	2.1466	2.6211	4.0171	5.1702	2.5311	2.5480	3.1159	1.7985		3.0019	2.4018
H12	4.0819	2.6467	2.1634	1.1189	2.1451	3.2388	4.7521	4.6422	4.2808	2.4018	3.0019		1.8033
H13	4.0819	2.6467	2.1634	1.1189	2.1451	3.2388	4.7521	4.2808	4.6422	3.0019	2.4018	1.8033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.180	C1	C2	H10	110.218
C1	C2	H11	110.218	C2	C1	H7	109.777
C2	C1	H8	110.321	C2	C1	H9	110.321
C2	O3	C4	106.418	O3	C2	H10	110.850
O3	C2	H11	110.850	O3	C4	C5	108.039
O3	C4	H12	112.060	O3	C4	H13	112.060
C4	C5	N6	179.794	C5	C4	H12	108.604
C5	C4	H13	108.604	H7	C1	H8	108.835
H7	C1	H9	108.835	H8	C1	H9	108.714
H10	C2	H11	107.548	H12	C4	H13	107.377

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: B3LYP/STO-3G

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: B3LYP/STO-3G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)