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	hartrees
Energy at 0K	-285.005496
Energy at 298.15K	-285.013346
HF Energy	-285.005496
Nuclear repulsion energy	213.812407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3139	3029	18.13
2	A'	3071	2963	10.27
3	A'	2999	2894	50.76
4	A'	2991	2886	11.31
5	A'	2366	2283	0.30
6	A'	1590	1534	3.74
7	A'	1570	1515	2.21
8	A'	1563	1508	9.73
9	A'	1461	1410	12.51
10	A'	1460	1409	0.77
11	A'	1384	1335	55.43
12	A'	1155	1114	34.01
13	A'	1078	1040	130.95
14	A'	1002	967	7.10
15	A'	955	921	12.86
16	A'	879	848	6.66
17	A'	591	571	0.79
18	A'	411	396	1.39
19	A'	307	296	1.65
20	A'	132	127	1.99
21	A"	3147	3036	20.26
22	A"	3028	2922	45.07
23	A"	3013	2907	32.56
24	A"	1550	1495	7.28
25	A"	1322	1275	0.02
26	A"	1275	1231	0.56
27	A"	1190	1148	8.02
28	A"	1059	1021	0.58
29	A"	866	836	1.82
30	A"	460	443	0.09
31	A"	233	225	0.61
32	A"	112	109	7.23
33	A"	76	74	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	-0.966	2.544	0.000
C2	-1.293	1.052	0.000
O3	0.000	0.358	0.000
C4	-0.173	-1.087	0.000
C5	1.156	-1.691	0.000
N6	2.216	-2.168	0.000
H7	-1.886	3.137	0.000
H8	-0.378	2.791	0.888
H9	-0.378	2.791	-0.888
H10	-1.876	0.775	-0.892
H11	-1.876	0.775	0.892
H12	-0.726	-1.431	-0.889
H13	-0.726	-1.431	0.889

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5276	2.3899	3.7163	4.7367	5.6857	1.0944	1.0933	1.0933	2.1794	2.1794	4.0804	4.0804
C2	1.5276		1.4677	2.4141	3.6770	4.7625	2.1681	2.1564	2.1564	1.1004	1.1004	2.6976	2.6976
O3	2.3899	1.4677		1.4553	2.3525	3.3602	3.3586	2.6169	2.6169	2.1188	2.1188	2.1257	2.1257
C4	3.7163	2.4141	1.4553		1.4599	2.6223	4.5581	3.9830	3.9830	2.6764	2.6764	1.1017	1.1017
C5	4.7367	3.6770	2.3525	1.4599		1.1624	5.7064	4.8192	4.8192	4.0089	4.0089	2.0972	2.0972
N6	5.6857	4.7625	3.3602	2.6223	1.1624		6.7059	5.6660	5.6660	5.1190	5.1190	3.1601	3.1601
H7	1.0944	2.1681	3.3586	4.5581	5.7064	6.7059		1.7839	1.7839	2.5244	2.5244	4.7966	4.7966
H8	1.0933	2.1564	2.6169	3.9830	4.8192	5.6660	1.7839		1.7756	3.0776	2.5110	4.5936	4.2362
H9	1.0933	2.1564	2.6169	3.9830	4.8192	5.6660	1.7839	1.7756		2.5110	3.0776	4.2362	4.5936
H10	2.1794	1.1004	2.1188	2.6764	4.0089	5.1190	2.5244	3.0776	2.5110		1.7832	2.4886	3.0598
H11	2.1794	1.1004	2.1188	2.6764	4.0089	5.1190	2.5244	2.5110	3.0776	1.7832		3.0598	2.4886
H12	4.0804	2.6976	2.1257	1.1017	2.0972	3.1601	4.7966	4.5936	4.2362	2.4886	3.0598		1.7773
H13	4.0804	2.6976	2.1257	1.1017	2.0972	3.1601	4.7966	4.2362	4.5936	3.0598	2.4886	1.7773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.837	C1	C2	H10	111.010
C1	C2	H11	111.010	C2	C1	H7	110.470
C2	C1	H8	109.614	C2	C1	H9	109.614
C2	O3	C4	111.362	O3	C2	H10	110.374
O3	C2	H11	110.374	O3	C4	C5	107.602
O3	C4	H12	111.728	O3	C4	H13	111.728
C4	C5	N6	179.792	C5	C4	H12	109.106
C5	C4	H13	109.106	H7	C1	H8	109.260
H7	C1	H9	109.260	H8	C1	H9	108.593
H10	C2	H11	108.245	H12	C4	H13	107.527

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: B3LYP/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: B3LYP/3-21G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)