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	hartrees
Energy at 0K	-285.734405
Energy at 298.15K	-285.742202
HF Energy	-284.837624
Nuclear repulsion energy	215.737847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3036	16.27
2	A'	3144	2944	11.01
3	A'	3074	2878	58.03
4	A'	3069	2874	11.72
5	A'	2224	2082	9.68
6	A'	1589	1488	1.68
7	A'	1562	1463	0.66
8	A'	1559	1460	5.28
9	A'	1492	1397	12.23
10	A'	1454	1361	9.58
11	A'	1416	1326	72.47
12	A'	1191	1115	140.99
13	A'	1179	1104	50.08
14	A'	1078	1010	18.73
15	A'	976	914	8.65
16	A'	924	865	6.05
17	A'	551	516	0.96
18	A'	429	401	0.90
19	A'	298	279	2.19
20	A'	132	124	3.15
21	A"	3254	3047	16.48
22	A"	3122	2924	9.44
23	A"	3116	2918	65.57
24	A"	1544	1446	4.78
25	A"	1333	1248	1.62
26	A"	1283	1202	3.51
27	A"	1222	1145	6.86
28	A"	1063	995	1.82
29	A"	848	794	0.31
30	A"	351	329	1.73
31	A"	267	250	0.42
32	A"	111	104	6.50
33	A"	75	70	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.970	2.523	0.000
C2	-1.257	1.040	0.000
O3	0.000	0.362	0.000
C4	-0.179	-1.038	0.000
C5	1.147	-1.670	0.000
N6	2.197	-2.208	0.000
H7	-1.902	3.087	0.000
H8	-0.397	2.793	0.883
H9	-0.397	2.793	-0.883
H10	-1.836	0.750	-0.885
H11	-1.836	0.750	0.885
H12	-0.732	-1.376	-0.885
H13	-0.732	-1.376	0.885

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5104	2.3686	3.6484	4.6972	5.6934	1.0890	1.0874	1.0874	2.1625	2.1625	4.0051	4.0051
C2	1.5104		1.4277	2.3414	3.6223	4.7411	2.1459	2.1434	2.1434	1.0969	1.0969	2.6258	2.6258
O3	2.3686	1.4277		1.4121	2.3335	3.3814	3.3226	2.6168	2.6168	2.0746	2.0746	2.0832	2.0832
C4	3.6484	2.3414	1.4121		1.4683	2.6481	4.4706	3.9384	3.9384	2.5939	2.5939	1.0970	1.0970
C5	4.6972	3.6223	2.3335	1.4683		1.1800	5.6498	4.8045	4.8045	3.9417	3.9417	2.0977	2.0977
N6	5.6934	4.7411	3.3814	2.6481	1.1800		6.6960	5.7028	5.7028	5.0792	5.0792	3.1710	3.1710
H7	1.0890	2.1459	3.3226	4.4706	5.6498	6.6960		1.7699	1.7699	2.4995	2.4995	4.6974	4.6974
H8	1.0874	2.1434	2.6168	3.9384	4.8045	5.7028	1.7699		1.7669	3.0617	2.4992	4.5411	4.1825
H9	1.0874	2.1434	2.6168	3.9384	4.8045	5.7028	1.7699	1.7669		2.4992	3.0617	4.1825	4.5411
H10	2.1625	1.0969	2.0746	2.5939	3.9417	5.0792	2.4995	3.0617	2.4992		1.7704	2.3953	2.9786
H11	2.1625	1.0969	2.0746	2.5939	3.9417	5.0792	2.4995	2.4992	3.0617	1.7704		2.9786	2.3953
H12	4.0051	2.6258	2.0832	1.0970	2.0977	3.1710	4.6974	4.5411	4.1825	2.3953	2.9786		1.7705
H13	4.0051	2.6258	2.0832	1.0970	2.0977	3.1710	4.6974	4.1825	4.5411	2.9786	2.3953	1.7705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.408	C1	C2	H10	111.084
C1	C2	H11	111.084	C2	C1	H7	110.233
C2	C1	H8	110.124	C2	C1	H9	110.124
C2	O3	C4	111.074	O3	C2	H10	109.830
O3	C2	H11	109.830	O3	C4	C5	108.203
O3	C4	H12	111.639	O3	C4	H13	111.639
C4	C5	N6	178.339	C5	C4	H12	108.849
C5	C4	H13	108.849	H7	C1	H8	108.825
H7	C1	H9	108.825	H8	C1	H9	108.670
H10	C2	H11	107.613	H12	C4	H13	107.596

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)