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	hartrees
Energy at 0K	-285.750608
Energy at 298.15K	-285.758293
HF Energy	-284.844608
Nuclear repulsion energy	215.404625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3036	17.08
2	A'	3131	2945	14.10
3	A'	3077	2894	47.74
4	A'	3071	2889	31.16
5	A'	2212	2081	7.58
6	A'	1572	1479	1.76
7	A'	1547	1455	0.22
8	A'	1545	1454	5.89
9	A'	1478	1390	12.16
10	A'	1443	1357	8.08
11	A'	1407	1323	64.48
12	A'	1176	1106	72.30
13	A'	1168	1099	129.74
14	A'	1068	1005	22.66
15	A'	971	913	9.03
16	A'	915	860	8.68
17	A'	540	508	0.45
18	A'	424	399	1.02
19	A'	291	274	1.74
20	A'	128	121	3.05
21	A"	3242	3049	17.16
22	A"	3128	2942	0.02
23	A"	3121	2936	61.19
24	A"	1528	1437	7.08
25	A"	1320	1241	2.41
26	A"	1269	1194	3.57
27	A"	1209	1137	6.66
28	A"	1048	986	2.48
29	A"	843	793	0.22
30	A"	321	302	0.87
31	A"	256	241	0.36
32	A"	105	98	7.66
33	A"	65	61	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.984	2.524	0.000
C2	-1.263	1.040	0.000
O3	0.000	0.363	0.000
C4	-0.173	-1.043	0.000
C5	1.155	-1.669	0.000
N6	2.208	-2.205	0.000
H7	-1.922	3.079	0.000
H8	-0.414	2.800	0.885
H9	-0.414	2.800	-0.885
H10	-1.834	0.744	-0.888
H11	-1.834	0.744	0.888
H12	-0.723	-1.376	-0.888
H13	-0.723	-1.376	0.888

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5106	2.3748	3.6584	4.7075	5.7052	1.0900	1.0882	1.0882	2.1638	2.1638	4.0089	4.0089
C2	1.5106		1.4332	2.3509	3.6314	4.7512	2.1434	2.1458	2.1458	1.0964	1.0964	2.6303	2.6303
O3	2.3748	1.4332		1.4167	2.3375	3.3863	3.3276	2.6259	2.6259	2.0728	2.0728	2.0823	2.0823
C4	3.6584	2.3509	1.4167		1.4684	2.6490	4.4781	3.9514	3.9514	2.5960	2.5960	1.0963	1.0963
C5	4.7075	3.6314	2.3375	1.4684		1.1809	5.6584	4.8188	4.8188	3.9426	3.9426	2.0977	2.0977
N6	5.7052	4.7512	3.3863	2.6490	1.1809		6.7064	5.7189	5.7189	5.0808	5.0808	3.1720	3.1720
H7	1.0900	2.1434	3.3276	4.4781	5.6584	6.7064		1.7708	1.7708	2.5005	2.5005	4.6990	4.6990
H8	1.0882	2.1458	2.6259	3.9514	4.8188	5.7189	1.7708		1.7696	3.0644	2.4994	4.5479	4.1880
H9	1.0882	2.1458	2.6259	3.9514	4.8188	5.7189	1.7708	1.7696		2.4994	3.0644	4.1880	4.5479
H10	2.1638	1.0964	2.0728	2.5960	3.9426	5.0808	2.5005	3.0644	2.4994		1.7764	2.3934	2.9807
H11	2.1638	1.0964	2.0728	2.5960	3.9426	5.0808	2.5005	2.4994	3.0644	1.7764		2.9807	2.3934
H12	4.0089	2.6303	2.0823	1.0963	2.0977	3.1720	4.6990	4.5479	4.1880	2.3934	2.9807		1.7767
H13	4.0089	2.6303	2.0823	1.0963	2.0977	3.1720	4.6990	4.1880	4.5479	2.9807	2.3934	1.7767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.521	C1	C2	H10	111.202
C1	C2	H11	111.202	C2	C1	H7	109.955
C2	C1	H8	110.259	C2	C1	H9	110.259
C2	O3	C4	111.159	O3	C2	H10	109.336
O3	C2	H11	109.336	O3	C4	C5	108.214
O3	C4	H12	111.272	O3	C4	H13	111.272
C4	C5	N6	178.261	C5	C4	H12	108.891
C5	C4	H13	108.891	H7	C1	H8	108.766
H7	C1	H9	108.766	H8	C1	H9	108.796
H10	C2	H11	108.218	H12	C4	H13	108.249

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

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

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: MP2/6-31+G**

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)