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	hartrees
Energy at 0K	-286.447534
Energy at 298.15K	-286.455436
HF Energy	-286.447534
Nuclear repulsion energy	216.576164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3014	15.64
2	A'	3102	2938	9.88
3	A'	3049	2888	28.34
4	A'	3032	2872	36.87
5	A'	2446	2316	0.45
6	A'	1563	1480	3.10
7	A'	1533	1452	0.67
8	A'	1530	1449	7.40
9	A'	1482	1403	10.65
10	A'	1437	1361	23.46
11	A'	1408	1334	63.11
12	A'	1226	1161	194.56
13	A'	1180	1117	24.72
14	A'	1088	1030	16.03
15	A'	980	928	9.50
16	A'	929	880	2.65
17	A'	571	541	1.08
18	A'	433	410	1.16
19	A'	313	296	2.30
20	A'	139	132	3.21
21	A"	3190	3021	16.40
22	A"	3083	2920	11.71
23	A"	3066	2903	61.62
24	A"	1518	1438	6.10
25	A"	1326	1256	3.22
26	A"	1283	1215	3.40
27	A"	1206	1142	7.43
28	A"	1051	995	1.34
29	A"	841	796	0.45
30	A"	386	365	1.86
31	A"	269	255	0.42
32	A"	121	115	6.66
33	A"	88	83	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.915	2.540	0.000
C2	-1.230	1.059	0.000
O3	0.000	0.357	0.000
C4	-0.194	-1.029	0.000
C5	1.120	-1.694	0.000
N6	2.136	-2.240	0.000
H7	-1.837	3.126	0.000
H8	-0.332	2.801	0.887
H9	-0.332	2.801	-0.887
H10	-1.818	0.780	-0.889
H11	-1.818	0.780	0.889
H12	-0.752	-1.361	-0.889
H13	-0.752	-1.361	0.889

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5137	2.3669	3.6404	4.6969	5.6705	1.0931	1.0925	1.0925	2.1681	2.1681	4.0037	4.0037
C2	1.5137		1.4166	2.3310	3.6194	4.7135	2.1542	2.1505	2.1505	1.1012	1.1012	2.6219	2.6219
O3	2.3669	1.4166		1.3987	2.3362	3.3625	3.3233	2.6207	2.6207	2.0673	2.0673	2.0748	2.0748
C4	3.6404	2.3310	1.3987		1.4721	2.6259	4.4680	3.9328	3.9328	2.5885	2.5885	1.1009	1.1009
C5	4.6969	3.6194	2.3362	1.4721		1.1540	5.6545	4.8053	4.8053	3.9420	3.9420	2.0986	2.0986
N6	5.6705	4.7135	3.3625	2.6259	1.1540		6.6771	5.6820	5.6820	5.0544	5.0544	3.1472	3.1472
H7	1.0931	2.1542	3.3233	4.4680	5.6545	6.6771		1.7769	1.7769	2.5085	2.5085	4.7009	4.7009
H8	1.0925	2.1505	2.6207	3.9328	4.8053	5.6820	1.7769		1.7731	3.0724	2.5078	4.5435	4.1824
H9	1.0925	2.1505	2.6207	3.9328	4.8053	5.6820	1.7769	1.7731		2.5078	3.0724	4.1824	4.5435
H10	2.1681	1.1012	2.0673	2.5885	3.9420	5.0544	2.5085	3.0724	2.5078		1.7771	2.3917	2.9797
H11	2.1681	1.1012	2.0673	2.5885	3.9420	5.0544	2.5085	2.5078	3.0724	1.7771		2.9797	2.3917
H12	4.0037	2.6219	2.0748	1.1009	2.0986	3.1472	4.7009	4.5435	4.1824	2.3917	2.9797		1.7772
H13	4.0037	2.6219	2.0748	1.1009	2.0986	3.1472	4.7009	4.1824	4.5435	2.9797	2.3917	1.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.701	C1	C2	H10	111.032
C1	C2	H11	111.032	C2	C1	H7	110.414
C2	C1	H8	110.158	C2	C1	H9	110.158
C2	O3	C4	111.777	O3	C2	H10	109.747
O3	C2	H11	109.747	O3	C4	C5	108.909
O3	C4	H12	111.656	O3	C4	H13	111.656
C4	C5	N6	178.604	C5	C4	H12	108.438
C5	C4	H13	108.438	H7	C1	H8	108.790
H7	C1	H9	108.790	H8	C1	H9	108.483
H10	C2	H11	107.583	H12	C4	H13	107.643

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: M06-2X/6-31G*

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: M06-2X/6-31G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)