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	hartrees
Energy at 0K	-284.864771
Energy at 298.15K	-284.872875
HF Energy	-284.864771
Nuclear repulsion energy	218.031237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3253	2945	34.01
2	A'	3181	2881	17.90
3	A'	3162	2863	38.23
4	A'	3132	2836	37.77
5	A'	2616	2369	3.00
6	A'	1656	1500	3.03
7	A'	1629	1475	3.12
8	A'	1618	1465	2.92
9	A'	1587	1437	6.99
10	A'	1538	1392	51.00
11	A'	1512	1369	61.10
12	A'	1296	1173	245.95
13	A'	1254	1135	32.90
14	A'	1131	1024	15.68
15	A'	1017	921	20.56
16	A'	964	873	0.49
17	A'	612	554	2.71
18	A'	449	406	1.49
19	A'	331	300	3.64
20	A'	145	131	4.24
21	A"	3262	2954	35.87
22	A"	3197	2895	26.85
23	A"	3165	2866	52.07
24	A"	1600	1449	3.99
25	A"	1416	1282	4.57
26	A"	1380	1249	3.37
27	A"	1291	1169	6.84
28	A"	1134	1027	1.94
29	A"	880	797	0.15
30	A"	423	383	4.57
31	A"	268	243	0.48
32	A"	117	106	7.29
33	A"	80	72	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.703	2.597	0.000
C2	-1.144	1.148	0.000
O3	0.000	0.337	0.000
C4	-0.271	-1.016	0.000
C5	1.000	-1.764	0.000
N6	1.953	-2.369	0.000
H7	-1.570	3.250	0.000
H8	-0.107	2.811	0.880
H9	-0.107	2.811	-0.880
H10	-1.750	0.931	-0.879
H11	-1.750	0.931	0.879
H12	-0.838	-1.316	-0.879
H13	-0.838	-1.316	0.879

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5143	2.3668	3.6382	4.6814	5.6316	1.0854	1.0842	1.0842	2.1553	2.1553	4.0129	4.0129
C2	1.5143		1.4020	2.3329	3.6156	4.6859	2.1451	2.1481	2.1481	1.0902	1.0902	2.6343	2.6343
O3	2.3668	1.4020		1.3795	2.3265	3.3370	3.3094	2.6278	2.6278	2.0468	2.0468	2.0514	2.0514
C4	3.6382	2.3329	1.3795		1.4749	2.6034	4.4593	3.9297	3.9297	2.5980	2.5980	1.0884	1.0884
C5	4.6814	3.6156	2.3265	1.4749		1.1288	5.6342	4.7880	4.7880	3.9493	3.9493	2.0858	2.0858
N6	5.6316	4.6859	3.3370	2.6034	1.1288		6.6322	5.6432	5.6432	5.0373	5.0373	3.1094	3.1094
H7	1.0854	2.1451	3.3094	4.4593	5.6342	6.6322		1.7630	1.7630	2.4873	2.4873	4.7078	4.7078
H8	1.0842	2.1481	2.6278	3.9297	4.7880	5.6432	1.7630		1.7593	3.0546	2.4973	4.5455	4.1913
H9	1.0842	2.1481	2.6278	3.9297	4.7880	5.6432	1.7630	1.7593		2.4973	3.0546	4.1913	4.5455
H10	2.1553	1.0902	2.0468	2.5980	3.9493	5.0373	2.4873	3.0546	2.4973		1.7587	2.4252	2.9958
H11	2.1553	1.0902	2.0468	2.5980	3.9493	5.0373	2.4873	2.4973	3.0546	1.7587		2.9958	2.4252
H12	4.0129	2.6343	2.0514	1.0884	2.0858	3.1094	4.7078	4.5455	4.1913	2.4252	2.9958		1.7588
H13	4.0129	2.6343	2.0514	1.0884	2.0858	3.1094	4.7078	4.1913	4.5455	2.9958	2.4252	1.7588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.436	C1	C2	H10	110.640
C1	C2	H11	110.640	C2	C1	H7	110.115
C2	C1	H8	110.418	C2	C1	H9	110.418
C2	O3	C4	114.004	O3	C2	H10	109.796
O3	C2	H11	109.796	O3	C4	C5	109.137
O3	C4	H12	111.909	O3	C4	H13	111.909
C4	C5	N6	178.046	C5	C4	H12	107.968
C5	C4	H13	107.968	H7	C1	H8	108.694
H7	C1	H9	108.694	H8	C1	H9	108.450
H10	C2	H11	107.529	H12	C4	H13	107.796

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: HF/6-31G(2df,p)

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: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)