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	hartrees
Energy at 0K	-281.614560
Energy at 298.15K	-281.622022
HF Energy	-281.242955
Nuclear repulsion energy	209.707893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3563	3107	0.97
2	A'	3382	2949	0.85
3	A'	3330	2904	10.21
4	A'	3318	2893	6.07
5	A'	2112	1841	56.70
6	A'	1739	1516	1.77
7	A'	1718	1498	3.25
8	A'	1696	1479	0.54
9	A'	1616	1409	2.11
10	A'	1562	1361	12.56
11	A'	1497	1306	75.48
12	A'	1284	1120	9.22
13	A'	1237	1079	7.43
14	A'	1141	995	2.15
15	A'	1015	885	0.71
16	A'	966	842	1.41
17	A'	549	479	0.19
18	A'	444	387	0.45
19	A'	304	265	1.04
20	A'	132	115	1.79
21	A"	3567	3110	1.25
22	A"	3437	2997	11.80
23	A"	3419	2981	6.50
24	A"	1717	1497	1.22
25	A"	1416	1234	0.54
26	A"	1335	1164	1.55
27	A"	1265	1103	9.03
28	A"	1095	955	2.16
29	A"	899	784	0.37
30	A"	347	303	0.75
31	A"	212	185	0.24
32	A"	127	110	3.78
33	A"	88	77	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-1.363	2.439	0.000
C2	-1.391	0.880	0.000
O3	0.000	0.412	0.000
C4	-0.052	-1.054	0.000
C5	1.376	-1.574	0.000
N6	2.527	-2.000	0.000
H7	-2.393	2.833	0.000
H8	-0.839	2.813	0.896
H9	-0.839	2.813	-0.896
H10	-1.938	0.507	-0.899
H11	-1.938	0.507	0.899
H12	-0.579	-1.455	-0.901
H13	-0.579	-1.455	0.901

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5590	2.4421	3.7303	4.8580	5.9016	1.1032	1.1028	1.1028	2.2068	2.2068	4.0726	4.0726
C2	1.5590		1.4680	2.3524	3.6988	4.8627	2.1950	2.2006	2.2006	1.1161	1.1161	2.6313	2.6313
O3	2.4421	1.4680		1.4669	2.4161	3.4932	3.4041	2.6963	2.6963	2.1386	2.1386	2.1527	2.1527
C4	3.7303	2.3524	1.4669		1.5201	2.7469	4.5375	4.0463	4.0463	2.6080	2.6080	1.1186	1.1186
C5	4.8580	3.6988	2.4161	1.5201		1.2268	5.7989	4.9951	4.9951	4.0155	4.0155	2.1568	2.1568
N6	5.9016	4.8627	3.4932	2.7469	1.2268		6.8965	5.9409	5.9409	5.1990	5.1990	3.2798	3.2798
H7	1.1032	2.1950	3.4041	4.5375	5.7989	6.8965		1.7934	1.7934	2.5348	2.5348	4.7423	4.7423
H8	1.1028	2.2006	2.6963	4.0463	4.9951	5.9409	1.7934		1.7915	3.1215	2.5542	4.6379	4.2756
H9	1.1028	2.2006	2.6963	4.0463	4.9951	5.9409	1.7934	1.7915		2.5542	3.1215	4.2756	4.6379
H10	2.2068	1.1161	2.1386	2.6080	4.0155	5.1990	2.5348	3.1215	2.5542		1.7973	2.3867	2.9893
H11	2.2068	1.1161	2.1386	2.6080	4.0155	5.1990	2.5348	2.5542	3.1215	1.7973		2.9893	2.3867
H12	4.0726	2.6313	2.1527	1.1186	2.1568	3.2798	4.7423	4.6379	4.2756	2.3867	2.9893		1.8026
H13	4.0726	2.6313	2.1527	1.1186	2.1568	3.2798	4.7423	4.2756	4.6379	2.9893	2.3867	1.8026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.525	C1	C2	H10	110.067
C1	C2	H11	110.067	C2	C1	H7	109.898
C2	C1	H8	110.359	C2	C1	H9	110.359
C2	O3	C4	106.548	O3	C2	H10	110.973
O3	C2	H11	110.973	O3	C4	C5	107.955
O3	C4	H12	112.030	O3	C4	H13	112.030
C4	C5	N6	179.649	C5	C4	H12	108.687
C5	C4	H13	108.687	H7	C1	H8	108.774
H7	C1	H9	108.774	H8	C1	H9	108.634
H10	C2	H11	107.254	H12	C4	H13	107.364

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP2/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: MP2/STO-3G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)