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	hartrees
Energy at 0K	-283.843141
Energy at 298.15K	-283.850967
HF Energy	-283.239773
Nuclear repulsion energy	212.420245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3025	15.92
2	A'	3104	2953	9.26
3	A'	3045	2896	44.33
4	A'	3043	2895	7.35
5	A'	2156	2051	14.38
6	A'	1629	1550	2.27
7	A'	1608	1530	0.99
8	A'	1604	1526	8.52
9	A'	1494	1422	10.07
10	A'	1484	1412	1.53
11	A'	1415	1347	58.69
12	A'	1173	1116	19.89
13	A'	1090	1037	108.00
14	A'	1003	954	7.09
15	A'	941	895	13.56
16	A'	877	834	5.56
17	A'	566	538	0.68
18	A'	411	391	1.37
19	A'	302	287	1.84
20	A'	131	125	1.88
21	A"	3193	3037	17.30
22	A"	3081	2931	32.31
23	A"	3076	2926	39.86
24	A"	1588	1511	5.49
25	A"	1350	1284	0.02
26	A"	1292	1229	0.56
27	A"	1221	1161	7.81
28	A"	1087	1034	1.42
29	A"	879	836	1.14
30	A"	425	405	0.08
31	A"	253	240	0.75
32	A"	108	103	7.15
33	A"	78	75	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	-0.981	2.549	0.000
C2	-1.309	1.051	0.000
O3	0.000	0.362	0.000
C4	-0.182	-1.096	0.000
C5	1.166	-1.691	0.000
N6	2.252	-2.169	0.000
H7	-1.901	3.143	0.000
H8	-0.393	2.792	0.888
H9	-0.393	2.792	-0.888
H10	-1.888	0.771	-0.891
H11	-1.888	0.771	0.891
H12	-0.734	-1.432	-0.890
H13	-0.734	-1.432	0.890

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5334	2.3969	3.7316	4.7524	5.7193	1.0946	1.0925	1.0925	2.1860	2.1860	4.0868	4.0868
C2	1.5334		1.4788	2.4246	3.6932	4.8004	2.1740	2.1581	2.1581	1.0994	1.0994	2.6995	2.6995
O3	2.3969	1.4788		1.4693	2.3608	3.3877	3.3682	2.6167	2.6167	2.1273	2.1273	2.1329	2.1329
C4	3.7316	2.4246	1.4693		1.4730	2.6597	4.5740	3.9935	3.9935	2.6814	2.6814	1.0999	1.0999
C5	4.7524	3.6932	2.3608	1.4730		1.1867	5.7242	4.8284	4.8284	4.0222	4.0222	2.1137	2.1137
N6	5.7193	4.8004	3.3877	2.6597	1.1867		6.7422	5.6915	5.6915	5.1549	5.1549	3.2015	3.2015
H7	1.0946	2.1740	3.3682	4.5740	5.7242	6.7422		1.7847	1.7847	2.5339	2.5339	4.8043	4.8043
H8	1.0925	2.1581	2.6167	3.9935	4.8284	5.6915	1.7847		1.7765	3.0799	2.5136	4.5955	4.2375
H9	1.0925	2.1581	2.6167	3.9935	4.8284	5.6915	1.7847	1.7765		2.5136	3.0799	4.2375	4.5955
H10	2.1860	1.0994	2.1273	2.6814	4.0222	5.1549	2.5339	3.0799	2.5136		1.7829	2.4867	3.0590
H11	2.1860	1.0994	2.1273	2.6814	4.0222	5.1549	2.5339	2.5136	3.0799	1.7829		3.0590	2.4867
H12	4.0868	2.6995	2.1329	1.0999	2.1137	3.2015	4.8043	4.5955	4.2375	2.4867	3.0590		1.7800
H13	4.0868	2.6995	2.1329	1.0999	2.1137	3.2015	4.8043	4.2375	4.5955	3.0590	2.4867	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.435	C1	C2	H10	111.187
C1	C2	H11	111.187	C2	C1	H7	110.517
C2	C1	H8	109.392	C2	C1	H9	109.392
C2	O3	C4	110.659	O3	C2	H10	110.333
O3	C2	H11	110.333	O3	C4	C5	106.714
O3	C4	H12	111.422	O3	C4	H13	111.422
C4	C5	N6	179.936	C5	C4	H12	109.621
C5	C4	H13	109.621	H7	C1	H8	109.368
H7	C1	H9	109.368	H8	C1	H9	108.777
H10	C2	H11	108.365	H12	C4	H13	108.029

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)