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	hartrees
Energy at 0K	-286.529560
Energy at 298.15K	-286.537526
HF Energy	-286.529560
Nuclear repulsion energy	216.914894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3158	14.48
2	A'	3078	3078	9.94
3	A'	3032	3032	30.12
4	A'	3021	3021	32.66
5	A'	2433	2433	0.58
6	A'	1543	1543	5.84
7	A'	1512	1512	1.45
8	A'	1510	1510	7.83
9	A'	1469	1469	7.54
10	A'	1420	1420	30.50
11	A'	1398	1398	42.42
12	A'	1212	1212	206.43
13	A'	1173	1173	24.51
14	A'	1080	1080	16.83
15	A'	974	974	9.42
16	A'	925	925	2.56
17	A'	574	574	1.01
18	A'	431	431	1.26
19	A'	312	312	1.96
20	A'	140	140	3.28
21	A"	3165	3165	16.13
22	A"	3066	3066	5.51
23	A"	3055	3055	51.66
24	A"	1493	1493	8.37
25	A"	1324	1324	3.62
26	A"	1279	1279	3.44
27	A"	1198	1198	7.40
28	A"	1043	1043	1.43
29	A"	841	841	0.56
30	A"	385	385	1.39
31	A"	278	278	0.45
32	A"	125	125	6.93
33	A"	93	93	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.929	2.534	0.000
C2	-1.235	1.053	0.000
O3	0.000	0.357	0.000
C4	-0.184	-1.029	0.000
C5	1.128	-1.687	0.000
N6	2.140	-2.227	0.000
H7	-1.854	3.113	0.000
H8	-0.349	2.797	0.885
H9	-0.349	2.797	-0.885
H10	-1.818	0.772	-0.888
H11	-1.818	0.772	0.888
H12	-0.736	-1.365	-0.888
H13	-0.736	-1.365	0.888

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5122	2.3674	3.6404	4.6959	5.6649	1.0910	1.0904	1.0904	2.1641	2.1641	4.0034	4.0034
C2	1.5122		1.4175	2.3322	3.6182	4.7061	2.1514	2.1467	2.1467	1.0989	1.0989	2.6235	2.6235
O3	2.3674	1.4175		1.3981	2.3345	3.3550	3.3221	2.6189	2.6189	2.0651	2.0651	2.0724	2.0724
C4	3.6404	2.3322	1.3981		1.4680	2.6145	4.4665	3.9304	3.9304	2.5886	2.5886	1.0985	1.0985
C5	4.6959	3.6182	2.3345	1.4680		1.1468	5.6513	4.8031	4.8031	3.9386	3.9386	2.0904	2.0904
N6	5.6649	4.7061	3.3550	2.6145	1.1468		6.6688	5.6761	5.6761	5.0443	5.0443	3.1313	3.1313
H7	1.0910	2.1514	3.3221	4.4665	5.6513	6.6688		1.7743	1.7743	2.5046	2.5046	4.7002	4.7002
H8	1.0904	2.1467	2.6189	3.9304	4.8031	5.6761	1.7743		1.7700	3.0661	2.5015	4.5401	4.1794
H9	1.0904	2.1467	2.6189	3.9304	4.8031	5.6761	1.7743	1.7700		2.5015	3.0661	4.1794	4.5401
H10	2.1641	1.0989	2.0651	2.5886	3.9386	5.0443	2.5046	3.0661	2.5015		1.7762	2.3946	2.9816
H11	2.1641	1.0989	2.0651	2.5886	3.9386	5.0443	2.5046	2.5015	3.0661	1.7762		2.9816	2.3946
H12	4.0034	2.6235	2.0724	1.0985	2.0904	3.1313	4.7002	4.5401	4.1794	2.3946	2.9816		1.7768
H13	4.0034	2.6235	2.0724	1.0985	2.0904	3.1313	4.7002	4.1794	4.5401	2.9816	2.3946	1.7768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.768	C1	C2	H10	110.960
C1	C2	H11	110.960	C2	C1	H7	110.423
C2	C1	H8	110.084	C2	C1	H9	110.084
C2	O3	C4	111.852	O3	C2	H10	109.656
O3	C2	H11	109.656	O3	C4	C5	109.061
O3	C4	H12	111.650	O3	C4	H13	111.650
C4	C5	N6	178.520	C5	C4	H12	108.210
C5	C4	H13	108.210	H7	C1	H8	108.851
H7	C1	H9	108.851	H8	C1	H9	108.503
H10	C2	H11	107.836	H12	C4	H13	107.943

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: M06-2X/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: M06-2X/6-311G**

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)