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	hartrees
Energy at 0K	-284.894944
Energy at 298.15K	-284.902627
HF Energy	-284.894944
Nuclear repulsion energy	211.847168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3056	3040	20.27
2	A'	2993	2977	11.71
3	A'	2908	2892	56.88
4	A'	2895	2879	18.16
5	A'	2261	2249	0.83
6	A'	1551	1543	2.63
7	A'	1534	1526	3.56
8	A'	1522	1514	9.13
9	A'	1422	1414	7.99
10	A'	1411	1403	3.42
11	A'	1335	1327	59.90
12	A'	1116	1110	23.11
13	A'	1006	1000	119.81
14	A'	956	951	21.29
15	A'	918	913	9.41
16	A'	837	833	7.36
17	A'	569	566	0.68
18	A'	397	395	1.13
19	A'	296	294	1.36
20	A'	126	126	1.81
21	A"	3066	3049	23.60
22	A"	2932	2916	52.61
23	A"	2910	2894	40.38
24	A"	1515	1507	6.63
25	A"	1281	1274	0.00
26	A"	1227	1220	0.26
27	A"	1149	1143	6.41
28	A"	1023	1018	0.36
29	A"	845	841	1.75
30	A"	446	443	0.02
31	A"	226	225	0.44
32	A"	109	109	6.03
33	A"	69	69	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	-1.053	2.535	0.000
C2	-1.335	1.023	0.000
O3	0.000	0.368	0.000
C4	-0.142	-1.101	0.000
C5	1.211	-1.674	0.000
N6	2.295	-2.126	0.000
H7	-1.999	3.100	0.000
H8	-0.471	2.804	0.894
H9	-0.471	2.804	-0.894
H10	-1.913	0.726	-0.898
H11	-1.913	0.726	0.898
H12	-0.691	-1.463	-0.895
H13	-0.691	-1.463	0.895

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5386	2.4096	3.7486	4.7794	5.7393	1.1020	1.1005	1.1005	2.1951	2.1951	4.1129	4.1129
C2	1.5386		1.4864	2.4354	3.7080	4.8050	2.1816	2.1722	2.1722	1.1088	1.1088	2.7189	2.7189
O3	2.4096	1.4864		1.4760	2.3739	3.3894	3.3857	2.6369	2.6369	2.1436	2.1436	2.1518	2.1518
C4	3.7486	2.4354	1.4760		1.4693	2.6441	4.5936	4.0192	4.0192	2.6983	2.6983	1.1105	1.1105
C5	4.7794	3.7080	2.3739	1.4693		1.1748	5.7531	4.8657	4.8657	4.0404	4.0404	2.1122	2.1122
N6	5.7393	4.8050	3.3894	2.6441	1.1748		6.7645	5.7229	5.7229	5.1624	5.1624	3.1868	3.1868
H7	1.1020	2.1816	3.3857	4.5936	5.7531	6.7645		1.7957	1.7957	2.5400	2.5400	4.8307	4.8307
H8	1.1005	2.1722	2.6369	4.0192	4.8657	5.7229	1.7957		1.7881	3.0999	2.5292	4.6317	4.2720
H9	1.1005	2.1722	2.6369	4.0192	4.8657	5.7229	1.7957	1.7881		2.5292	3.0999	4.2720	4.6317
H10	2.1951	1.1088	2.1436	2.6983	4.0404	5.1624	2.5400	3.0999	2.5292		1.7965	2.5070	3.0826
H11	2.1951	1.1088	2.1436	2.6983	4.0404	5.1624	2.5400	2.5292	3.0999	1.7965		3.0826	2.5070
H12	4.1129	2.7189	2.1518	1.1105	2.1122	3.1868	4.8307	4.6317	4.2720	2.5070	3.0826		1.7908
H13	4.1129	2.7189	2.1518	1.1105	2.1122	3.1868	4.8307	4.2720	4.6317	3.0826	2.5070	1.7908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.590	C1	C2	H10	110.988
C1	C2	H11	110.988	C2	C1	H7	110.324
C2	C1	H8	109.673	C2	C1	H9	109.673
C2	O3	C4	110.590	O3	C2	H10	110.532
O3	C2	H11	110.532	O3	C4	C5	107.419
O3	C4	H12	111.823	O3	C4	H13	111.823
C4	C5	N6	179.688	C5	C4	H12	109.129
C5	C4	H13	109.129	H7	C1	H8	109.238
H7	C1	H9	109.238	H8	C1	H9	108.667
H10	C2	H11	108.222	H12	C4	H13	107.474

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: BLYP/3-21G

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: BLYP/3-21G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)