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	hartrees
Energy at 0K	-286.295709
Energy at 298.15K	-286.303364
HF Energy	-286.295709
Nuclear repulsion energy	215.105717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3062	3034	18.82
2	A'	2985	2958	13.39
3	A'	2892	2866	73.75
4	A'	2883	2857	16.77
5	A'	2287	2266	0.28
6	A'	1479	1465	4.82
7	A'	1454	1440	1.81
8	A'	1441	1427	8.18
9	A'	1394	1382	9.34
10	A'	1357	1344	12.98
11	A'	1327	1315	42.69
12	A'	1117	1107	60.03
13	A'	1099	1089	166.45
14	A'	1016	1007	19.39
15	A'	937	929	3.72
16	A'	874	866	7.70
17	A'	545	540	0.82
18	A'	410	406	1.08
19	A'	292	289	1.51
20	A'	128	127	3.01
21	A"	3065	3037	21.45
22	A"	2919	2892	33.19
23	A"	2903	2877	52.25
24	A"	1432	1419	8.21
25	A"	1256	1244	2.26
26	A"	1209	1198	4.01
27	A"	1144	1134	6.81
28	A"	990	981	0.79
29	A"	803	796	0.97
30	A"	368	364	0.76
31	A"	241	239	0.30
32	A"	113	112	5.83
33	A"	74	74	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.043	2.515	0.000
C2	-1.278	1.016	0.000
O3	0.000	0.368	0.000
C4	-0.136	-1.040	0.000
C5	1.191	-1.659	0.000
N6	2.234	-2.176	0.000
H7	-2.004	3.050	0.000
H8	-0.475	2.816	0.892
H9	-0.475	2.816	-0.892
H10	-1.857	0.705	-0.895
H11	-1.857	0.705	0.895
H12	-0.689	-1.400	-0.894
H13	-0.689	-1.400	0.894

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5167	2.3863	3.6688	4.7337	5.7221	1.1002	1.0994	1.0994	2.1761	2.1761	4.0310	4.0310
C2	1.5167		1.4328	2.3524	3.6402	4.7461	2.1600	2.1632	2.1632	1.1099	1.1099	2.6426	2.6426
O3	2.3863	1.4328		1.4151	2.3511	3.3860	3.3481	2.6479	2.6479	2.0884	2.0884	2.0979	2.0979
C4	3.6688	2.3524	1.4151		1.4637	2.6279	4.4971	3.9725	3.9725	2.6096	2.6096	1.1112	1.1112
C5	4.7337	3.6402	2.3511	1.4637		1.1644	5.6907	4.8573	4.8573	3.9595	3.9595	2.0979	2.0979
N6	5.7221	4.7461	3.3860	2.6279	1.1644		6.7289	5.7492	5.7492	5.0831	5.0831	3.1540	3.1540
H7	1.1002	2.1600	3.3481	4.4971	5.6907	6.7289		1.7856	1.7856	2.5142	2.5142	4.7259	4.7259
H8	1.0994	2.1632	2.6479	3.9725	4.8573	5.7492	1.7856		1.7833	3.0911	2.5225	4.5835	4.2215
H9	1.0994	2.1632	2.6479	3.9725	4.8573	5.7492	1.7856	1.7833		2.5225	3.0911	4.2215	4.5835
H10	2.1761	1.1099	2.0884	2.6096	3.9595	5.0831	2.5142	3.0911	2.5225		1.7896	2.4075	2.9991
H11	2.1761	1.1099	2.0884	2.6096	3.9595	5.0831	2.5142	2.5225	3.0911	1.7896		2.9991	2.4075
H12	4.0310	2.6426	2.0979	1.1112	2.0979	3.1540	4.7259	4.5835	4.2215	2.4075	2.9991		1.7873
H13	4.0310	2.6426	2.0979	1.1112	2.0979	3.1540	4.7259	4.2215	4.5835	2.9991	2.4075	1.7873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.970	C1	C2	H10	110.930
C1	C2	H11	110.930	C2	C1	H7	110.235
C2	C1	H8	110.539	C2	C1	H9	110.539
C2	O3	C4	111.377	O3	C2	H10	109.780
O3	C2	H11	109.780	O3	C4	C5	109.495
O3	C4	H12	111.725	O3	C4	H13	111.725
C4	C5	N6	178.625	C5	C4	H12	108.347
C5	C4	H13	108.347	H7	C1	H8	108.536
H7	C1	H9	108.536	H8	C1	H9	108.391
H10	C2	H11	107.451	H12	C4	H13	107.074

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: PBEPBE/6-311G**

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: PBEPBE/6-311G**

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)