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	hartrees
Energy at 0K	-286.465469
Energy at 298.15K	-286.473272
HF Energy	-286.465469
Nuclear repulsion energy	217.284126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3035	15.73
2	A'	3080	2950	11.51
3	A'	2997	2871	57.50
4	A'	2991	2865	14.24
5	A'	2409	2307	0.72
6	A'	1531	1467	5.05
7	A'	1500	1436	0.36
8	A'	1494	1431	7.57
9	A'	1449	1388	8.75
10	A'	1401	1342	19.78
11	A'	1378	1320	54.72
12	A'	1201	1151	209.71
13	A'	1157	1108	19.89
14	A'	1075	1029	15.92
15	A'	964	924	4.91
16	A'	912	874	3.85
17	A'	565	541	1.39
18	A'	421	403	1.02
19	A'	302	289	2.45
20	A'	133	127	3.43
21	A"	3172	3038	16.91
22	A"	3032	2904	11.25
23	A"	3023	2895	58.77
24	A"	1481	1418	5.36
25	A"	1302	1247	3.09
26	A"	1258	1205	4.20
27	A"	1188	1138	6.12
28	A"	1032	988	0.65
29	A"	820	785	0.87
30	A"	391	374	2.08
31	A"	241	231	0.25
32	A"	116	111	5.67
33	A"	79	76	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.963	2.520	0.000
C2	-1.237	1.037	0.000
O3	0.000	0.359	0.000
C4	-0.166	-1.022	0.000
C5	1.143	-1.671	0.000
N6	2.158	-2.213	0.000
H7	-1.901	3.076	0.000
H8	-0.391	2.801	0.884
H9	-0.391	2.801	-0.884
H10	-1.822	0.747	-0.885
H11	-1.822	0.747	0.885
H12	-0.723	-1.368	-0.884
H13	-0.723	-1.368	0.884

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5080	2.3653	3.6305	4.6897	5.6692	1.0905	1.0902	1.0902	2.1599	2.1599	3.9941	3.9941
C2	1.5080		1.4100	2.3206	3.6044	4.6996	2.1444	2.1473	2.1473	1.1000	1.1000	2.6131	2.6131
O3	2.3653	1.4100		1.3915	2.3295	3.3578	3.3155	2.6264	2.6264	2.0620	2.0620	2.0704	2.0704
C4	3.6305	2.3206	1.3915		1.4607	2.6118	4.4500	3.9309	3.9309	2.5793	2.5793	1.1003	1.1003
C5	4.6897	3.6044	2.3295	1.4607		1.1513	5.6385	4.8096	4.8096	3.9261	3.9261	2.0862	2.0862
N6	5.6692	4.6996	3.3578	2.6118	1.1513		6.6669	5.6940	5.6940	5.0381	5.0381	3.1297	3.1297
H7	1.0905	2.1444	3.3155	4.4500	5.6385	6.6669		1.7714	1.7714	2.4929	2.4929	4.6814	4.6814
H8	1.0902	2.1473	2.6264	3.9309	4.8096	5.6940	1.7714		1.7685	3.0660	2.5039	4.5408	4.1823
H9	1.0902	2.1473	2.6264	3.9309	4.8096	5.6940	1.7714	1.7685		2.5039	3.0660	4.1823	4.5408
H10	2.1599	1.1000	2.0620	2.5793	3.9261	5.0381	2.4929	3.0660	2.5039		1.7701	2.3831	2.9681
H11	2.1599	1.1000	2.0620	2.5793	3.9261	5.0381	2.4929	2.5039	3.0660	1.7701		2.9681	2.3831
H12	3.9941	2.6131	2.0704	1.1003	2.0862	3.1297	4.6814	4.5408	4.1823	2.3831	2.9681		1.7684
H13	3.9941	2.6131	2.0704	1.1003	2.0862	3.1297	4.6814	4.1823	4.5408	2.9681	2.3831	1.7684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.258	C1	C2	H10	110.859
C1	C2	H11	110.859	C2	C1	H7	110.194
C2	C1	H8	110.441	C2	C1	H9	110.441
C2	O3	C4	111.859	O3	C2	H10	109.860
O3	C2	H11	109.860	O3	C4	C5	109.496
O3	C4	H12	111.853	O3	C4	H13	111.853
C4	C5	N6	178.260	C5	C4	H12	108.272
C5	C4	H13	108.272	H7	C1	H8	108.647
H7	C1	H9	108.647	H8	C1	H9	108.415
H10	C2	H11	107.144	H12	C4	H13	106.956

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: B1B95/6-31G(2df,p)

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: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)