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	hartrees
Energy at 0K	-284.700205
Energy at 298.15K	-284.708228
HF Energy	-284.700205
Nuclear repulsion energy	215.997453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3279	2961	32.76
2	A'	3206	2895	21.69
3	A'	3195	2885	29.50
4	A'	3176	2868	36.19
5	A'	2573	2323	3.27
6	A'	1690	1526	3.77
7	A'	1669	1507	1.78
8	A'	1657	1496	6.49
9	A'	1595	1441	5.83
10	A'	1582	1428	7.69
11	A'	1529	1380	72.04
12	A'	1259	1137	67.34
13	A'	1238	1118	183.13
14	A'	1114	1006	9.99
15	A'	1037	936	30.99
16	A'	965	872	7.39
17	A'	602	544	0.48
18	A'	443	400	2.13
19	A'	317	286	2.38
20	A'	138	125	2.94
21	A"	3299	2978	34.66
22	A"	3236	2922	25.85
23	A"	3216	2904	49.91
24	A"	1641	1482	6.26
25	A"	1427	1289	1.78
26	A"	1388	1253	2.46
27	A"	1301	1175	12.20
28	A"	1148	1036	3.83
29	A"	916	827	0.58
30	A"	411	371	0.94
31	A"	256	232	1.16
32	A"	109	99	14.44
33	A"	75	67	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	-0.433	2.658	0.000
C2	-1.068	1.286	0.000
O3	0.000	0.323	0.000
C4	-0.380	-1.043	0.000
C5	0.833	-1.856	0.000
N6	1.774	-2.509	0.000
H7	-1.195	3.430	0.000
H8	0.188	2.784	0.877
H9	0.188	2.784	-0.877
H10	-1.687	1.136	-0.880
H11	-1.687	1.136	0.880
H12	-0.970	-1.282	-0.879
H13	-0.970	-1.282	0.879

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5129	2.3752	3.7016	4.6887	5.6189	1.0839	1.0817	1.0817	2.1596	2.1596	4.0732	4.0732
C2	1.5129		1.4381	2.4280	3.6725	4.7412	2.1477	2.1431	2.1431	1.0857	1.0857	2.7160	2.7160
O3	2.3752	1.4381		1.4178	2.3331	3.3418	3.3283	2.6191	2.6191	2.0689	2.0689	2.0711	2.0711
C4	3.7016	2.4280	1.4178		1.4610	2.6060	4.5459	3.9668	3.9668	2.6886	2.6886	1.0846	1.0846
C5	4.6887	3.6725	2.3331	1.4610		1.1451	5.6613	4.7660	4.7660	4.0098	4.0098	2.0859	2.0859
N6	5.6189	4.7412	3.3418	2.6060	1.1451		6.6392	5.5944	5.5944	5.1028	5.1028	3.1311	3.1311
H7	1.0839	2.1477	3.3283	4.5459	5.6613	6.6392		1.7600	1.7600	2.5052	2.5052	4.7985	4.7985
H8	1.0817	2.1431	2.6191	3.9668	4.7660	5.5944	1.7600		1.7533	3.0522	2.4962	4.5779	4.2280
H9	1.0817	2.1431	2.6191	3.9668	4.7660	5.5944	1.7600	1.7533		2.4962	3.0522	4.2280	4.5779
H10	2.1596	1.0857	2.0689	2.6886	4.0098	5.1028	2.5052	3.0522	2.4962		1.7598	2.5228	3.0751
H11	2.1596	1.0857	2.0689	2.6886	4.0098	5.1028	2.5052	2.4962	3.0522	1.7598		3.0751	2.5228
H12	4.0732	2.7160	2.0711	1.0846	2.0859	3.1311	4.7985	4.5779	4.2280	2.5228	3.0751		1.7570
H13	4.0732	2.7160	2.0711	1.0846	2.0859	3.1311	4.7985	4.2280	4.5779	3.0751	2.5228	1.7570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.172	C1	C2	H10	111.357
C1	C2	H11	111.357	C2	C1	H7	110.504
C2	C1	H8	110.274	C2	C1	H9	110.274
C2	O3	C4	116.458	O3	C2	H10	109.326
O3	C2	H11	109.326	O3	C4	C5	108.270
O3	C4	H12	111.016	O3	C4	H13	111.016
C4	C5	N6	179.075	C5	C4	H12	109.162
C5	C4	H13	109.162	H7	C1	H8	108.726
H7	C1	H9	108.726	H8	C1	H9	108.280
H10	C2	H11	108.273	H12	C4	H13	108.184

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: HF/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: HF/6-31G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)