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	hartrees
Energy at 0K	-286.312683
Energy at 298.15K	-286.320502
HF Energy	-286.312683
Nuclear repulsion energy	216.983954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	3019	18.94
2	A'	3065	2940	12.66
3	A'	2993	2871	53.13
4	A'	2985	2864	26.30
5	A'	2401	2304	0.78
6	A'	1529	1467	5.97
7	A'	1499	1438	1.24
8	A'	1493	1432	8.14
9	A'	1452	1393	7.02
10	A'	1405	1348	30.39
11	A'	1382	1326	39.80
12	A'	1191	1143	218.94
13	A'	1161	1114	20.21
14	A'	1072	1028	19.52
15	A'	971	931	5.66
16	A'	914	877	4.86
17	A'	569	546	1.03
18	A'	424	407	1.23
19	A'	303	291	1.86
20	A'	133	128	3.35
21	A"	3150	3022	20.92
22	A"	3023	2900	1.27
23	A"	3016	2893	73.23
24	A"	1476	1417	8.36
25	A"	1306	1253	3.18
26	A"	1263	1212	4.12
27	A"	1187	1138	7.37
28	A"	1030	988	1.03
29	A"	826	793	0.86
30	A"	384	368	1.26
31	A"	248	238	0.38
32	A"	114	109	6.51
33	A"	75	72	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.974	2.519	0.000
C2	-1.244	1.035	0.000
O3	0.000	0.360	0.000
C4	-0.161	-1.027	0.000
C5	1.149	-1.670	0.000
N6	2.168	-2.205	0.000
H7	-1.914	3.076	0.000
H8	-0.401	2.803	0.886
H9	-0.401	2.803	-0.886
H10	-1.826	0.743	-0.888
H11	-1.826	0.743	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		1.5080	2.3686	3.6380	4.6964	5.6734	1.0929	1.0922	1.0922	2.1605	2.1605	4.0020	4.0020
C2	1.5080		1.4152	2.3292	3.6117	4.7052	2.1477	2.1488	2.1488	1.1014	1.1014	2.6223	2.6223
O3	2.3686	1.4152		1.3962	2.3327	3.3584	3.3227	2.6292	2.6292	2.0665	2.0665	2.0750	2.0750
C4	3.6380	2.3292	1.3962		1.4595	2.6101	4.4616	3.9381	3.9381	2.5874	2.5874	1.1017	1.1017
C5	4.6964	3.6117	2.3327	1.4595		1.1509	5.6487	4.8161	4.8161	3.9326	3.9326	2.0844	2.0844
N6	5.6734	4.7052	3.3584	2.6101	1.1509		6.6747	5.6975	5.6975	5.0432	5.0432	3.1276	3.1276
H7	1.0929	2.1477	3.3227	4.4616	5.6487	6.6747		1.7745	1.7745	2.4972	2.4972	4.6941	4.6941
H8	1.0922	2.1488	2.6292	3.9381	4.8161	5.6975	1.7745		1.7713	3.0688	2.5043	4.5488	4.1890
H9	1.0922	2.1488	2.6292	3.9381	4.8161	5.6975	1.7745	1.7713		2.5043	3.0688	4.1890	4.5488
H10	2.1605	1.1014	2.0665	2.5874	3.9326	5.0432	2.4972	3.0688	2.5043		1.7759	2.3923	2.9791
H11	2.1605	1.1014	2.0665	2.5874	3.9326	5.0432	2.4972	2.5043	3.0688	1.7759		2.9791	2.3923
H12	4.0020	2.6223	2.0750	1.1017	2.0844	3.1276	4.6941	4.5488	4.1890	2.3923	2.9791		1.7748
H13	4.0020	2.6223	2.0750	1.1017	2.0844	3.1276	4.6941	4.1890	4.5488	2.9791	2.3923	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.207	C1	C2	H10	110.821
C1	C2	H11	110.821	C2	C1	H7	110.316
C2	C1	H8	110.445	C2	C1	H9	110.445
C2	O3	C4	111.881	O3	C2	H10	109.770
O3	C2	H11	109.770	O3	C4	C5	109.523
O3	C4	H12	111.799	O3	C4	H13	111.799
C4	C5	N6	178.465	C5	C4	H12	108.131
C5	C4	H13	108.131	H7	C1	H8	108.601
H7	C1	H9	108.601	H8	C1	H9	108.371
H10	C2	H11	107.450	H12	C4	H13	107.313

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: PBE1PBE/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: PBE1PBE/6-311G**

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)