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	hartrees
Energy at 0K	-286.539739
Energy at 298.15K	-286.547522
HF Energy	-286.539739
Nuclear repulsion energy	216.529082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3130	3014	20.44
2	A'	3051	2939	13.80
3	A'	2978	2868	61.48
4	A'	2971	2861	21.47
5	A'	2380	2293	0.68
6	A'	1526	1470	5.52
7	A'	1497	1442	1.42
8	A'	1491	1436	7.86
9	A'	1447	1393	7.21
10	A'	1403	1351	22.08
11	A'	1378	1327	44.62
12	A'	1168	1125	214.04
13	A'	1151	1109	25.43
14	A'	1055	1017	19.21
15	A'	963	927	6.19
16	A'	906	873	5.45
17	A'	564	543	1.04
18	A'	420	405	1.27
19	A'	301	290	1.87
20	A'	132	128	3.31
21	A"	3134	3019	22.47
22	A"	3007	2896	6.99
23	A"	3000	2889	70.07
24	A"	1476	1421	8.09
25	A"	1301	1253	2.88
26	A"	1258	1211	3.97
27	A"	1182	1139	7.25
28	A"	1027	989	1.01
29	A"	826	795	0.87
30	A"	380	366	1.24
31	A"	246	237	0.38
32	A"	112	108	6.61
33	A"	73	70	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.971	2.528	0.000
C2	-1.246	1.042	0.000
O3	0.000	0.359	0.000
C4	-0.162	-1.032	0.000
C5	1.149	-1.677	0.000
N6	2.168	-2.213	0.000
H7	-1.910	3.086	0.000
H8	-0.398	2.811	0.886
H9	-0.398	2.811	-0.886
H10	-1.829	0.752	-0.888
H11	-1.829	0.752	0.888
H12	-0.716	-1.379	-0.887
H13	-0.716	-1.379	0.887

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5108	2.3756	3.6503	4.7082	5.6855	1.0931	1.0922	1.0922	2.1627	2.1627	4.0143	4.0143
C2	1.5108		1.4203	2.3398	3.6224	4.7167	2.1497	2.1521	2.1521	1.1013	1.1013	2.6324	2.6324
O3	2.3756	1.4203		1.4009	2.3376	3.3642	3.3294	2.6366	2.6366	2.0706	2.0706	2.0790	2.0790
C4	3.6503	2.3398	1.4009		1.4609	2.6127	4.4739	3.9505	3.9505	2.5977	2.5977	1.1018	1.1018
C5	4.7082	3.6224	2.3376	1.4609		1.1521	5.6605	4.8282	4.8282	3.9435	3.9435	2.0859	2.0859
N6	5.6855	4.7167	3.3642	2.6127	1.1521		6.6870	5.7101	5.7101	5.0552	5.0552	3.1303	3.1303
H7	1.0931	2.1497	3.3294	4.4739	5.6605	6.6870		1.7742	1.7742	2.4988	2.4988	4.7068	4.7068
H8	1.0922	2.1521	2.6366	3.9505	4.8282	5.7101	1.7742		1.7714	3.0711	2.5071	4.5606	4.2018
H9	1.0922	2.1521	2.6366	3.9505	4.8282	5.7101	1.7742	1.7714		2.5071	3.0711	4.2018	4.5606
H10	2.1627	1.1013	2.0706	2.5977	3.9435	5.0552	2.4988	3.0711	2.5071		1.7761	2.4043	2.9888
H11	2.1627	1.1013	2.0706	2.5977	3.9435	5.0552	2.4988	2.5071	3.0711	1.7761		2.9888	2.4043
H12	4.0143	2.6324	2.0790	1.1018	2.0859	3.1303	4.7068	4.5606	4.2018	2.4043	2.9888		1.7749
H13	4.0143	2.6324	2.0790	1.1018	2.0859	3.1303	4.7068	4.2018	4.5606	2.9888	2.4043	1.7749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.246	C1	C2	H10	110.804
C1	C2	H11	110.804	C2	C1	H7	110.260
C2	C1	H8	110.502	C2	C1	H9	110.502
C2	O3	C4	112.061	O3	C2	H10	109.752
O3	C2	H11	109.752	O3	C4	C5	109.519
O3	C4	H12	111.781	O3	C4	H13	111.781
C4	C5	N6	178.436	C5	C4	H12	108.154
C5	C4	H13	108.154	H7	C1	H8	108.566
H7	C1	H9	108.566	H8	C1	H9	108.382
H10	C2	H11	107.481	H12	C4	H13	107.310

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: B3PW91/6-311G**

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: B3PW91/6-311G**

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)