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	hartrees
Energy at 0K	-283.769797
Energy at 298.15K	-283.777768
HF Energy	-283.247106
Nuclear repulsion energy	214.385598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	2996	18.93
2	A'	3151	2932	10.22
3	A'	3110	2894	27.79
4	A'	3101	2886	20.20
5	A'	2464	2293	0.73
6	A'	1655	1540	3.17
7	A'	1634	1521	2.44
8	A'	1624	1511	6.79
9	A'	1528	1422	7.31
10	A'	1523	1417	4.55
11	A'	1456	1355	62.84
12	A'	1209	1125	49.56
13	A'	1161	1080	107.49
14	A'	1040	968	4.90
15	A'	985	916	23.86
16	A'	920	856	3.07
17	A'	602	560	0.93
18	A'	424	395	1.74
19	A'	315	294	2.05
20	A'	136	126	2.20
21	A"	3231	3006	20.04
22	A"	3138	2919	21.49
23	A"	3134	2916	44.67
24	A"	1608	1497	5.68
25	A"	1379	1283	0.19
26	A"	1335	1242	0.87
27	A"	1251	1164	9.59
28	A"	1114	1036	1.98
29	A"	892	830	1.00
30	A"	455	424	0.34
31	A"	251	234	0.91
32	A"	109	102	8.94
33	A"	79	73	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	-0.815	2.587	0.000
C2	-1.238	1.118	0.000
O3	0.000	0.344	0.000
C4	-0.240	-1.083	0.000
C5	1.071	-1.742	0.000
N6	2.103	-2.260	0.000
H7	-1.690	3.237	0.000
H8	-0.214	2.792	0.884
H9	-0.214	2.792	-0.884
H10	-1.832	0.879	-0.887
H11	-1.832	0.879	0.887
H12	-0.802	-1.395	-0.886
H13	-0.802	-1.395	0.886

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5294	2.3866	3.7147	4.7227	5.6582	1.0903	1.0888	1.0888	2.1773	2.1773	4.0797	4.0797
C2	1.5294		1.4595	2.4158	3.6755	4.7508	2.1676	2.1527	2.1527	1.0942	1.0942	2.6996	2.6996
O3	2.3866	1.4595		1.4469	2.3454	3.3475	3.3508	2.6114	2.6114	2.1047	2.1047	2.1100	2.1100
C4	3.7147	2.4158	1.4469		1.4677	2.6223	4.5569	3.9743	3.9743	2.6775	2.6775	1.0943	1.0943
C5	4.7227	3.6755	2.3454	1.4677		1.1545	5.6941	4.7952	4.7952	4.0108	4.0108	2.1004	2.1004
N6	5.6582	4.7508	3.3475	2.6223	1.1545		6.6794	5.6282	5.6282	5.1113	5.1113	3.1574	3.1574
H7	1.0903	2.1676	3.3508	4.5569	5.6941	6.6794		1.7777	1.7777	2.5239	2.5239	4.7994	4.7994
H8	1.0888	2.1527	2.6114	3.9743	4.7952	5.6282	1.7777		1.7689	3.0687	2.5057	4.5836	4.2281
H9	1.0888	2.1527	2.6114	3.9743	4.7952	5.6282	1.7777	1.7689		2.5057	3.0687	4.2281	4.5836
H10	2.1773	1.0942	2.1047	2.6775	4.0108	5.1113	2.5239	3.0687	2.5057		1.7744	2.4965	3.0619
H11	2.1773	1.0942	2.1047	2.6775	4.0108	5.1113	2.5239	2.5057	3.0687	1.7744		3.0619	2.4965
H12	4.0797	2.6996	2.1100	1.0943	2.1004	3.1574	4.7994	4.5836	4.2281	2.4965	3.0619		1.7713
H13	4.0797	2.6996	2.1100	1.0943	2.1004	3.1574	4.7994	4.2281	4.5836	3.0619	2.4965	1.7713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.946	C1	C2	H10	111.087
C1	C2	H11	111.087	C2	C1	H7	110.554
C2	C1	H8	109.464	C2	C1	H9	109.464
C2	O3	C4	112.440	O3	C2	H10	110.188
O3	C2	H11	110.188	O3	C4	C5	107.163
O3	C4	H12	111.517	O3	C4	H13	111.517
C4	C5	N6	179.946	C5	C4	H12	109.273
C5	C4	H13	109.273	H7	C1	H8	109.337
H7	C1	H9	109.337	H8	C1	H9	108.655
H10	C2	H11	108.348	H12	C4	H13	108.063

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: CID/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: CID/3-21G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)