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	hartrees
Energy at 0K	-284.895984
Energy at 298.15K	-284.904104
HF Energy	-284.895984
Nuclear repulsion energy	218.075964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	2946	48.78
2	A'	3194	2889	15.94
3	A'	3191	2886	53.83
4	A'	3158	2856	47.77
5	A'	2611	2362	2.61
6	A'	1673	1513	3.00
7	A'	1648	1490	3.47
8	A'	1634	1478	3.59
9	A'	1600	1447	5.52
10	A'	1551	1403	65.20
11	A'	1525	1379	53.45
12	A'	1295	1171	255.91
13	A'	1263	1142	36.94
14	A'	1135	1026	20.84
15	A'	1025	927	24.34
16	A'	969	877	0.65
17	A'	614	556	1.96
18	A'	449	407	1.72
19	A'	331	299	2.64
20	A'	145	131	4.03
21	A"	3269	2956	54.17
22	A"	3223	2915	34.49
23	A"	3185	2881	60.23
24	A"	1616	1462	5.72
25	A"	1431	1294	5.91
26	A"	1397	1263	3.08
27	A"	1299	1175	8.16
28	A"	1142	1033	3.61
29	A"	888	803	0.02
30	A"	422	381	3.09
31	A"	272	246	0.65
32	A"	118	107	8.40
33	A"	80	72	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.705	2.595	0.000
C2	-1.146	1.148	0.000
O3	0.000	0.337	0.000
C4	-0.271	-1.018	0.000
C5	1.000	-1.764	0.000
N6	1.955	-2.365	0.000
H7	-1.568	3.252	0.000
H8	-0.108	2.809	0.878
H9	-0.108	2.809	-0.878
H10	-1.750	0.928	-0.879
H11	-1.750	0.928	0.879
H12	-0.836	-1.316	-0.879
H13	-0.836	-1.316	0.879

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5123	2.3657	3.6388	4.6803	5.6278	1.0848	1.0833	1.0833	2.1541	2.1541	4.0104	4.0104
C2	1.5123		1.4041	2.3361	3.6171	4.6855	2.1459	2.1467	2.1467	1.0887	1.0887	2.6343	2.6343
O3	2.3657	1.4041		1.3813	2.3263	3.3344	3.3104	2.6264	2.6264	2.0457	2.0457	2.0499	2.0499
C4	3.6388	2.3361	1.3813		1.4735	2.6013	4.4627	3.9303	3.9303	2.5979	2.5979	1.0865	1.0865
C5	4.6803	3.6171	2.3263	1.4735		1.1281	5.6350	4.7868	4.7868	3.9476	3.9476	2.0842	2.0842
N6	5.6278	4.6855	3.3344	2.6013	1.1281		6.6301	5.6390	5.6390	5.0342	5.0342	3.1083	3.1083
H7	1.0848	2.1459	3.3104	4.4627	5.6350	6.6301		1.7603	1.7603	2.4907	2.4907	4.7090	4.7090
H8	1.0833	2.1467	2.6264	3.9303	4.7868	5.6390	1.7603		1.7560	3.0528	2.4968	4.5426	4.1892
H9	1.0833	2.1467	2.6264	3.9303	4.7868	5.6390	1.7603	1.7560		2.4968	3.0528	4.1892	4.5426
H10	2.1541	1.0887	2.0457	2.5979	3.9476	5.0342	2.4907	3.0528	2.4968		1.7572	2.4234	2.9935
H11	2.1541	1.0887	2.0457	2.5979	3.9476	5.0342	2.4907	2.4968	3.0528	1.7572		2.9935	2.4234
H12	4.0104	2.6343	2.0499	1.0865	2.0842	3.1083	4.7090	4.5426	4.1892	2.4234	2.9935		1.7573
H13	4.0104	2.6343	2.0499	1.0865	2.0842	3.1083	4.7090	4.1892	4.5426	2.9935	2.4234	1.7573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.367	C1	C2	H10	110.771
C1	C2	H11	110.771	C2	C1	H7	110.350
C2	C1	H8	110.500	C2	C1	H9	110.500
C2	O3	C4	114.007	O3	C2	H10	109.654
O3	C2	H11	109.654	O3	C4	C5	109.107
O3	C4	H12	111.773	O3	C4	H13	111.773
C4	C5	N6	178.226	C5	C4	H12	108.055
C5	C4	H13	108.055	H7	C1	H8	108.566
H7	C1	H9	108.566	H8	C1	H9	108.292
H10	C2	H11	107.615	H12	C4	H13	107.940

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

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

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)