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	hartrees
Energy at 0K	-284.869482
Energy at 298.15K	-284.877567
HF Energy	-284.869482
Nuclear repulsion energy	214.460965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3066	11.53
2	A'	3118	2989	6.32
3	A'	3081	2953	29.41
4	A'	3059	2932	12.21
5	A'	2399	2300	0.39
6	A'	1604	1538	4.82
7	A'	1577	1512	1.16
8	A'	1573	1508	11.25
9	A'	1484	1423	6.32
10	A'	1472	1411	10.97
11	A'	1409	1351	45.82
12	A'	1181	1132	77.30
13	A'	1140	1093	79.16
14	A'	1038	995	6.12
15	A'	972	932	16.52
16	A'	913	875	3.34
17	A'	600	575	0.67
18	A'	420	403	1.67
19	A'	312	299	1.91
20	A'	135	129	2.12
21	A"	3194	3062	13.57
22	A"	3113	2984	33.61
23	A"	3088	2961	18.30
24	A"	1559	1495	8.35
25	A"	1342	1287	0.39
26	A"	1296	1243	1.21
27	A"	1215	1165	9.53
28	A"	1080	1035	0.84
29	A"	879	843	1.98
30	A"	457	438	0.10
31	A"	284	272	0.66
32	A"	133	127	8.97
33	A"	114	109	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.927	2.548	0.000
C2	-1.276	1.063	0.000
O3	0.000	0.355	0.000
C4	-0.192	-1.078	0.000
C5	1.133	-1.699	0.000
N6	2.184	-2.189	0.000
H7	-1.835	3.157	0.000
H8	-0.334	2.782	0.887
H9	-0.334	2.782	-0.887
H10	-1.860	0.793	-0.891
H11	-1.860	0.793	0.891
H12	-0.745	-1.413	-0.889
H13	-0.745	-1.413	0.889

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5260	2.3816	3.7005	4.7209	5.6673	1.0930	1.0923	1.0923	2.1778	2.1778	4.0636	4.0636
C2	1.5260		1.4590	2.3997	3.6647	4.7475	2.1677	2.1517	2.1517	1.0986	1.0986	2.6831	2.6831
O3	2.3816	1.4590		1.4458	2.3457	3.3522	3.3497	2.6061	2.6061	2.1080	2.1080	2.1142	2.1142
C4	3.7005	2.3997	1.4458		1.4633	2.6223	4.5429	3.9637	3.9637	2.6603	2.6603	1.0995	1.0995
C5	4.7209	3.6647	2.3457	1.4633		1.1590	5.6915	4.7983	4.7983	3.9952	3.9952	2.0980	2.0980
N6	5.6673	4.7475	3.3522	2.6223	1.1590		6.6879	5.6426	5.6426	5.1023	5.1023	3.1579	3.1579
H7	1.0930	2.1677	3.3497	4.5429	5.6915	6.6879		1.7832	1.7832	2.5260	2.5260	4.7811	4.7811
H8	1.0923	2.1517	2.6061	3.9637	4.7983	5.6426	1.7832		1.7738	3.0729	2.5066	4.5739	4.2149
H9	1.0923	2.1517	2.6061	3.9637	4.7983	5.6426	1.7832	1.7738		2.5066	3.0729	4.2149	4.5739
H10	2.1778	1.0986	2.1080	2.6603	3.9952	5.1023	2.5260	3.0729	2.5066		1.7815	2.4712	3.0456
H11	2.1778	1.0986	2.1080	2.6603	3.9952	5.1023	2.5260	2.5066	3.0729	1.7815		3.0456	2.4712
H12	4.0636	2.6831	2.1142	1.0995	2.0980	3.1579	4.7811	4.5739	4.2149	2.4712	3.0456		1.7788
H13	4.0636	2.6831	2.1142	1.0995	2.0980	3.1579	4.7811	4.2149	4.5739	3.0456	2.4712	1.7788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.833	C1	C2	H10	111.107
C1	C2	H11	111.107	C2	C1	H7	110.636
C2	C1	H8	109.419	C2	C1	H9	109.419
C2	O3	C4	111.398	O3	C2	H10	110.223
O3	C2	H11	110.223	O3	C4	C5	107.474
O3	C4	H12	111.599	O3	C4	H13	111.599
C4	C5	N6	179.886	C5	C4	H12	109.073
C5	C4	H13	109.073	H7	C1	H8	109.376
H7	C1	H9	109.376	H8	C1	H9	108.580
H10	C2	H11	108.349	H12	C4	H13	107.977

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: M06-2X/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: M06-2X/3-21G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)