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	hartrees
Energy at 0K	-286.578799
Energy at 298.15K	-286.586407
HF Energy	-286.578799
Nuclear repulsion energy	213.998857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3034	3027	22.45
2	A'	2974	2966	15.08
3	A'	2894	2887	75.44
4	A'	2885	2877	15.88
5	A'	2274	2269	0.14
6	A'	1490	1487	3.54
7	A'	1468	1464	1.91
8	A'	1457	1453	6.68
9	A'	1403	1399	6.90
10	A'	1380	1377	5.46
11	A'	1343	1339	53.35
12	A'	1110	1107	18.27
13	A'	1043	1040	200.35
14	A'	982	979	16.50
15	A'	924	922	8.39
16	A'	854	852	11.80
17	A'	536	534	0.67
18	A'	405	404	1.29
19	A'	290	289	1.57
20	A'	128	128	3.05
21	A"	3044	3036	24.88
22	A"	2917	2910	36.02
23	A"	2903	2896	44.56
24	A"	1451	1448	6.64
25	A"	1263	1259	1.64
26	A"	1214	1211	2.32
27	A"	1148	1145	6.07
28	A"	999	996	1.31
29	A"	812	810	0.54
30	A"	356	355	0.86
31	A"	241	240	0.27
32	A"	111	110	6.82
33	A"	72	71	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.034	2.540	0.000
C2	-1.284	1.037	0.000
O3	0.000	0.366	0.000
C4	-0.139	-1.057	0.000
C5	1.192	-1.677	0.000
N6	2.231	-2.198	0.000
H7	-1.992	3.077	0.000
H8	-0.468	2.840	0.891
H9	-0.468	2.840	-0.891
H10	-1.860	0.733	-0.893
H11	-1.860	0.733	0.893
H12	-0.691	-1.411	-0.892
H13	-0.691	-1.411	0.892

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5236	2.4070	3.7062	4.7683	5.7541	1.0985	1.0970	1.0970	2.1785	2.1785	4.0645	4.0645
C2	1.5236		1.4487	2.3862	3.6739	4.7774	2.1596	2.1704	2.1704	1.1058	1.1058	2.6719	2.6719
O3	2.4070	1.4487		1.4298	2.3655	3.3992	3.3642	2.6707	2.6707	2.0960	2.0960	2.1048	2.1048
C4	3.7062	2.3862	1.4298		1.4690	2.6311	4.5302	4.0109	4.0109	2.6388	2.6388	1.1071	1.1071
C5	4.7683	3.6739	2.3655	1.4690		1.1623	5.7220	4.8942	4.8942	3.9905	3.9905	2.1008	2.1008
N6	5.7541	4.7774	3.3992	2.6311	1.1623		6.7576	5.7848	5.7848	5.1118	5.1118	3.1550	3.1550
H7	1.0985	2.1596	3.3642	4.5302	5.7220	6.7576		1.7810	1.7810	2.5121	2.5121	4.7572	4.7572
H8	1.0970	2.1704	2.6707	4.0109	4.8942	5.7848	1.7810		1.7810	3.0921	2.5256	4.6150	4.2566
H9	1.0970	2.1704	2.6707	4.0109	4.8942	5.7848	1.7810	1.7810		2.5256	3.0921	4.2566	4.6150
H10	2.1785	1.1058	2.0960	2.6388	3.9905	5.1118	2.5121	3.0921	2.5256		1.7870	2.4420	3.0254
H11	2.1785	1.1058	2.0960	2.6388	3.9905	5.1118	2.5121	2.5256	3.0921	1.7870		3.0254	2.4420
H12	4.0645	2.6719	2.1048	1.1071	2.1008	3.1550	4.7572	4.6150	4.2566	2.4420	3.0254		1.7850
H13	4.0645	2.6719	2.1048	1.1071	2.1008	3.1550	4.7572	4.2566	4.6150	3.0254	2.4420	1.7850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.132	C1	C2	H10	110.896
C1	C2	H11	110.896	C2	C1	H7	109.835
C2	C1	H8	110.780	C2	C1	H9	110.780
C2	O3	C4	111.991	O3	C2	H10	109.549
O3	C2	H11	109.549	O3	C4	C5	109.373
O3	C4	H12	111.505	O3	C4	H13	111.505
C4	C5	N6	178.314	C5	C4	H12	108.454
C5	C4	H13	108.454	H7	C1	H8	108.422
H7	C1	H9	108.422	H8	C1	H9	108.532
H10	C2	H11	107.809	H12	C4	H13	107.447

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: BLYP/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)