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	hartrees
Energy at 0K	-286.522742
Energy at 298.15K	-286.530726
HF Energy	-286.522742
Nuclear repulsion energy	216.948157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3166	3166	17.55
2	A'	3088	3088	11.79
3	A'	3047	3047	33.63
4	A'	3035	3035	34.19
5	A'	2433	2433	0.50
6	A'	1558	1558	5.53
7	A'	1527	1527	0.62
8	A'	1525	1525	9.05
9	A'	1480	1480	8.01
10	A'	1432	1432	31.80
11	A'	1410	1410	43.78
12	A'	1214	1214	207.87
13	A'	1179	1179	24.65
14	A'	1083	1083	17.52
15	A'	977	977	10.70
16	A'	928	928	2.33
17	A'	575	575	1.05
18	A'	433	433	1.31
19	A'	314	314	1.95
20	A'	141	141	3.27
21	A"	3173	3173	19.62
22	A"	3080	3080	8.23
23	A"	3067	3067	56.01
24	A"	1511	1511	8.78
25	A"	1336	1336	3.86
26	A"	1293	1293	3.24
27	A"	1206	1206	7.49
28	A"	1050	1050	1.60
29	A"	845	845	0.45
30	A"	387	387	1.47
31	A"	285	285	0.42
32	A"	128	128	6.99
33	A"	96	96	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.923	2.535	0.000
C2	-1.232	1.055	0.000
O3	0.000	0.356	0.000
C4	-0.187	-1.029	0.000
C5	1.125	-1.689	0.000
N6	2.135	-2.232	0.000
H7	-1.844	3.119	0.000
H8	-0.341	2.798	0.884
H9	-0.341	2.798	-0.884
H10	-1.817	0.775	-0.887
H11	-1.817	0.775	0.887
H12	-0.742	-1.362	-0.887
H13	-0.742	-1.362	0.887

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5118	2.3663	3.6391	4.6945	5.6633	1.0911	1.0905	1.0905	2.1646	2.1646	4.0011	4.0011
C2	1.5118		1.4166	2.3316	3.6176	4.7055	2.1528	2.1479	2.1479	1.0990	1.0990	2.6214	2.6214
O3	2.3663	1.4166		1.3974	2.3343	3.3549	3.3221	2.6198	2.6198	2.0645	2.0645	2.0713	2.0713
C4	3.6391	2.3316	1.3974		1.4682	2.6148	4.4669	3.9310	3.9310	2.5876	2.5876	1.0985	1.0985
C5	4.6945	3.6176	2.3343	1.4682		1.1468	5.6513	4.8033	4.8033	3.9381	3.9381	2.0923	2.0923
N6	5.6633	4.7055	3.3549	2.6148	1.1468		6.6684	5.6760	5.6760	5.0438	5.0438	3.1336	3.1336
H7	1.0911	2.1528	3.3221	4.4669	5.6513	6.6684		1.7731	1.7731	2.5071	2.5071	4.6995	4.6995
H8	1.0905	2.1479	2.6198	3.9310	4.8033	5.6760	1.7731		1.7687	3.0676	2.5043	4.5397	4.1797
H9	1.0905	2.1479	2.6198	3.9310	4.8033	5.6760	1.7731	1.7687		2.5043	3.0676	4.1797	4.5397
H10	2.1646	1.0990	2.0645	2.5876	3.9381	5.0438	2.5071	3.0676	2.5043		1.7747	2.3918	2.9783
H11	2.1646	1.0990	2.0645	2.5876	3.9381	5.0438	2.5071	2.5043	3.0676	1.7747		2.9783	2.3918
H12	4.0011	2.6214	2.0713	1.0985	2.0923	3.1336	4.6995	4.5397	4.1797	2.3918	2.9783		1.7748
H13	4.0011	2.6214	2.0713	1.0985	2.0923	3.1336	4.6995	4.1797	4.5397	2.9783	2.3918	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.768	C1	C2	H10	111.029
C1	C2	H11	111.029	C2	C1	H7	110.557
C2	C1	H8	110.202	C2	C1	H9	110.202
C2	O3	C4	111.899	O3	C2	H10	109.660
O3	C2	H11	109.660	O3	C4	C5	109.067
O3	C4	H12	111.608	O3	C4	H13	111.608
C4	C5	N6	178.521	C5	C4	H12	108.345
C5	C4	H13	108.345	H7	C1	H8	108.725
H7	C1	H9	108.725	H8	C1	H9	108.374
H10	C2	H11	107.691	H12	C4	H13	107.761

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)