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	hartrees
Energy at 0K	-286.337660
Energy at 298.15K	-286.345478
HF Energy	-286.337660
Nuclear repulsion energy	216.952479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3144	3020	19.75
2	A'	3063	2941	13.09
3	A'	2990	2872	54.87
4	A'	2982	2864	26.23
5	A'	2400	2305	0.80
6	A'	1529	1468	5.87
7	A'	1499	1440	1.20
8	A'	1493	1434	8.15
9	A'	1453	1395	7.15
10	A'	1405	1350	28.30
11	A'	1382	1327	40.95
12	A'	1186	1139	220.01
13	A'	1160	1114	19.85
14	A'	1069	1027	19.74
15	A'	970	932	5.79
16	A'	913	877	5.18
17	A'	569	546	1.07
18	A'	424	407	1.23
19	A'	304	292	1.86
20	A'	133	128	3.36
21	A"	3147	3022	21.79
22	A"	3020	2900	1.96
23	A"	3013	2893	74.44
24	A"	1477	1419	8.33
25	A"	1306	1254	3.15
26	A"	1263	1213	4.16
27	A"	1187	1140	7.37
28	A"	1030	989	1.02
29	A"	827	794	0.84
30	A"	384	369	1.27
31	A"	248	238	0.39
32	A"	114	109	6.50
33	A"	75	72	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.973	2.520	0.000
C2	-1.244	1.036	0.000
O3	0.000	0.360	0.000
C4	-0.161	-1.028	0.000
C5	1.149	-1.671	0.000
N6	2.168	-2.205	0.000
H7	-1.913	3.077	0.000
H8	-0.400	2.803	0.885
H9	-0.400	2.803	-0.885
H10	-1.826	0.744	-0.888
H11	-1.826	0.744	0.888
H12	-0.714	-1.375	-0.887
H13	-0.714	-1.375	0.887

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5079	2.3691	3.6395	4.6973	5.6736	1.0927	1.0920	1.0920	2.1606	2.1606	4.0030	4.0030
C2	1.5079		1.4161	2.3311	3.6131	4.7060	2.1477	2.1486	2.1486	1.1013	1.1013	2.6235	2.6235
O3	2.3691	1.4161		1.3971	2.3331	3.3582	3.3233	2.6293	2.6293	2.0669	2.0669	2.0753	2.0753
C4	3.6395	2.3311	1.3971		1.4591	2.6094	4.4634	3.9392	3.9392	2.5890	2.5890	1.1015	1.1015
C5	4.6973	3.6131	2.3331	1.4591		1.1505	5.6497	4.8165	4.8165	3.9336	3.9336	2.0844	2.0844
N6	5.6736	4.7060	3.3582	2.6094	1.1505		6.6749	5.6973	5.6973	5.0439	5.0439	3.1275	3.1275
H7	1.0927	2.1477	3.3233	4.4634	5.6497	6.6749		1.7742	1.7742	2.4976	2.4976	4.6954	4.6954
H8	1.0920	2.1486	2.6293	3.9392	4.8165	5.6973	1.7742		1.7710	3.0686	2.5043	4.5493	4.1898
H9	1.0920	2.1486	2.6293	3.9392	4.8165	5.6973	1.7742	1.7710		2.5043	3.0686	4.1898	4.5493
H10	2.1606	1.1013	2.0669	2.5890	3.9336	5.0439	2.4976	3.0686	2.5043		1.7757	2.3936	2.9800
H11	2.1606	1.1013	2.0669	2.5890	3.9336	5.0439	2.4976	2.5043	3.0686	1.7757		2.9800	2.3936
H12	4.0030	2.6235	2.0753	1.1015	2.0844	3.1275	4.6954	4.5493	4.1898	2.3936	2.9800		1.7744
H13	4.0030	2.6235	2.0753	1.1015	2.0844	3.1275	4.6954	4.1898	4.5493	2.9800	2.3936	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.195	C1	C2	H10	110.841
C1	C2	H11	110.841	C2	C1	H7	110.327
C2	C1	H8	110.442	C2	C1	H9	110.442
C2	O3	C4	111.915	O3	C2	H10	109.753
O3	C2	H11	109.753	O3	C4	C5	109.519
O3	C4	H12	111.772	O3	C4	H13	111.772
C4	C5	N6	178.481	C5	C4	H12	108.170
C5	C4	H13	108.170	H7	C1	H8	108.601
H7	C1	H9	108.601	H8	C1	H9	108.367
H10	C2	H11	107.455	H12	C4	H13	107.298

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: HSEh1PBE/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: HSEh1PBE/6-311G**

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)