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	hartrees
Energy at 0K	-286.352280
Energy at 298.15K	-286.360004
HF Energy	-286.352280
Nuclear repulsion energy	214.799948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3034	20.05
2	A'	3092	2949	13.39
3	A'	3029	2889	60.13
4	A'	3027	2887	8.83
5	A'	2372	2262	0.54
6	A'	1572	1499	4.77
7	A'	1549	1477	3.68
8	A'	1542	1470	8.91
9	A'	1471	1403	12.91
10	A'	1457	1390	4.60
11	A'	1399	1334	45.56
12	A'	1170	1116	33.29
13	A'	1132	1080	148.75
14	A'	1053	1005	15.20
15	A'	981	935	8.23
16	A'	898	856	9.86
17	A'	557	532	0.30
18	A'	418	399	1.55
19	A'	291	278	1.78
20	A'	128	122	2.52
21	A"	3193	3045	21.39
22	A"	3074	2931	23.57
23	A"	3065	2923	54.27
24	A"	1529	1458	8.93
25	A"	1317	1256	0.76
26	A"	1266	1208	2.70
27	A"	1201	1145	9.72
28	A"	1049	1001	0.91
29	A"	855	815	1.99
30	A"	376	358	0.32
31	A"	231	220	0.67
32	A"	107	102	9.80
33	A"	73	69	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.865	2.569	0.000
C2	-1.239	1.107	0.000
O3	0.000	0.353	0.000
C4	-0.209	-1.068	0.000
C5	1.088	-1.727	0.000
N6	2.124	-2.263	0.000
H7	-1.760	3.194	0.000
H8	-0.272	2.808	0.884
H9	-0.272	2.808	-0.884
H10	-1.829	0.844	-0.888
H11	-1.829	0.844	0.888
H12	-0.777	-1.383	-0.886
H13	-0.777	-1.383	0.886

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5095	2.3789	3.6950	4.7188	5.6812	1.0922	1.0908	1.0908	2.1669	2.1669	4.0505	4.0505
C2	1.5095		1.4507	2.4057	3.6668	4.7608	2.1510	2.1474	2.1474	1.0983	1.0983	2.6823	2.6823
O3	2.3789	1.4507		1.4355	2.3470	3.3692	3.3422	2.6236	2.6236	2.0920	2.0920	2.0977	2.0977
C4	3.6950	2.4057	1.4355		1.4554	2.6218	4.5346	3.9753	3.9753	2.6583	2.6583	1.0986	1.0986
C5	4.7188	3.6668	2.3470	1.4554		1.1664	5.6855	4.8161	4.8161	3.9886	3.9886	2.0936	2.0936
N6	5.6812	4.7608	3.3692	2.6218	1.1664		6.6978	5.6773	5.6773	5.1058	5.1058	3.1589	3.1589
H7	1.0922	2.1510	3.3422	4.5346	5.6855	6.6978		1.7737	1.7737	2.5129	2.5129	4.7637	4.7637
H8	1.0908	2.1474	2.6236	3.9753	4.8161	5.6773	1.7737		1.7683	3.0697	2.5062	4.5769	4.2207
H9	1.0908	2.1474	2.6236	3.9753	4.8161	5.6773	1.7737	1.7683		2.5062	3.0697	4.2207	4.5769
H10	2.1669	1.0983	2.0920	2.6583	3.9886	5.1058	2.5129	3.0697	2.5062		1.7770	2.4625	3.0352
H11	2.1669	1.0983	2.0920	2.6583	3.9886	5.1058	2.5129	2.5062	3.0697	1.7770		3.0352	2.4625
H12	4.0505	2.6823	2.0977	1.0986	2.0936	3.1589	4.7637	4.5769	4.2207	2.4625	3.0352		1.7721
H13	4.0505	2.6823	2.0977	1.0986	2.0936	3.1589	4.7637	4.2207	4.5769	3.0352	2.4625	1.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.941	C1	C2	H10	111.407
C1	C2	H11	111.407	C2	C1	H7	110.508
C2	C1	H8	110.302	C2	C1	H9	110.302
C2	O3	C4	112.927	O3	C2	H10	109.542
O3	C2	H11	109.542	O3	C4	C5	108.551
O3	C4	H12	111.048	O3	C4	H13	111.048
C4	C5	N6	179.599	C5	C4	H12	109.325
C5	C4	H13	109.325	H7	C1	H8	108.686
H7	C1	H9	108.686	H8	C1	H9	108.299
H10	C2	H11	107.986	H12	C4	H13	107.518

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: B1B95/6-31G

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: B1B95/6-31G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)